Didemnin A (9CI)

Modify Date: 2024-02-06 12:58:56

Didemnin A (9CI) Structure
Didemnin A (9CI) structure
Common Name Didemnin A (9CI)
CAS Number 77327-04-9 Molecular Weight 943.17700
Density 1.199g/cm3 Boiling Point 1134.93ºC at 760 mmHg
Molecular Formula C49H78N6O12 Melting Point N/A
MSDS N/A Flash Point 640.182ºC

 Names

Name L-Tyrosine, N-[1-[N-[4-[[3-hydroxy-5-methyl-4- [[N-(N-methyl-D-leucyl)-L-threonyl]amino]-1-oxoheptyl]oxy]- 2,5-dimethyl-1,3-dioxohexyl]-L-leucyl]-L-prolyl]- N,O-dimethyl-, .φ.-lactone, [3S-[1(2R*,4R*),3R*,4S*,5R*]]
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.199g/cm3
Boiling Point 1134.93ºC at 760 mmHg
Molecular Formula C49H78N6O12
Molecular Weight 943.17700
Flash Point 640.182ºC
Exact Mass 942.56800
PSA 239.08000
LogP 4.02090
Index of Refraction 1.553
InChIKey XQZOGOCTPKFYKC-YRETZQAMSA-N
SMILES CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)NC)C(C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)CC1O

 Synonyms

didemnins
Didemnin A
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