Pradimicinone

Modify Date: 2026-09-13 17:43:28

Pradimicinone Structure
Pradimicinone structure
 Common Name Pradimicinone
CAS Number 116276-03-0 Molecular Weight 549.48200
Density 1.647g/cm3 Boiling Point 903.2ºC at 760 mmHg
Molecular Formula C28H23NO11 Melting Point N/A
MSDS N/A Flash Point 500.1ºC

Summary: (2R)-2-[(5S,6S)-1,5,6,9,14-Pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid, also known as Pradimicinone, CAS 116276-03-0, molecular formula C28H23NO11, molecular weight 549.48200. For research-use only, not for medical or clinical usage.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.647g/cm3
Boiling Point 903.2ºC at 760 mmHg
Molecular Formula C28H23NO11
Molecular Weight 549.48200
Flash Point 500.1ºC
Exact Mass 549.12700
PSA 214.41000
LogP 2.42090
Vapour Pressure 3.86E-35mmHg at 25°C
Index of Refraction 1.747
InChIKey MXDWXJYFRRURMW-ILWJZNQRSA-N
SMILES COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)C(O)C3O)C2=O

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  2

DownStream  0

 PradimicinoneBioassay

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This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

PMNI
Pradimicinone I
Benanomicinone AGL
Pradimicinone
Pradimicin AG-2

 Pradimicinone | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid?
A: Polar surface area (PSA) of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid is 214.41000.
Q: What is the English name of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid?
A: The English name of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid is (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid.
Q: What English synonyms does (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid have?
A: English synonyms of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid: PMNI, Pradimicinone I, Benanomicinone AGL, Pradimicinone, Pradimicin AG-2.
Q: What are the upstream materials of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid?
A: Related upstream materials(CAS) of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid: 116249-69-5;236751-99-8.
Q: What is the InChIKey of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid?
A: InChIKey of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid is MXDWXJYFRRURMW-ILWJZNQRSA-N.
Q: What is the LogP of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid?
A: LogP of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid is 2.42090.
Q: What is the molecular formula of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid?
A: Molecular formula of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid is C28H23NO11.
Q: What is the CAS number of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid?
A: CAS number of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid is 116276-03-0.
Q: What is the boiling point of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid?
A: Boiling point of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid is 903.2ºC at 760 mmHg.
Q: What is the SMILES notation of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid?
A: SMILES notation of (2R)-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid is COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)C(O)C3O)C2=O.

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