(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(1R,2R,3S,4R,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-[[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxyoxane-3,4,5-triol

Names

[ Name ]:
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(1R,2R,3S,4R,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-[[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxyoxane-3,4,5-triol

[Synonym ]:
validamycin B

Chemical & Physical Properties

[ Density]:
1.76g/cm3

[ Boiling Point ]:
857.3ºC at 760mmHg

[ Molecular Formula ]:
C₂₀H₃₅NO₁₄

[ Molecular Weight ]:
513.49000

[ Flash Point ]:
472.3ºC

[ Exact Mass ]:
513.20600

[ PSA ]:
273.25000

[ Vapour Pressure ]:
3.13E-34mmHg at 25°C

[ Index of Refraction ]:
1.708

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV9350200

CHEMICAL NAME :: Validamycin B

CAS REGISTRY NUMBER :: 102583-47-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C20-H35-N-O14

MOLECULAR WEIGHT :: 513.56

WISWESSER LINE NOTATION :: L6UTJ A1Q DQ EQ CM- AL6TJ BQ C1Q DQ FQ EO- AL6TJ BQ CQ DQ E1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 24,107,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 1,229,1980

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 24,107,1971

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 24,107,1971

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

6,7,2",3",4",6"-hexa-O-acetyl-2,3,4',5',6',7'-hexa-O-benzylvalidamycin B
Validamycin

DownStream

Related Compounds

Ethyl 6-(4-aminobutanamido)hexanoate
5-Amino-1-[2-(ethylsulfanyl)ethyl]-6-methyl-1,2-dihydropyridin-2-one
3-Amino-1-(1,3-dimethoxypropan-2-yl)-1,2-dihydropyridin-2-one
2-Bromobutyl hexanoate
1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-4-amine
1-[(dimethyl-4H-1,2,4-triazol-3-yl)methyl]-5-methyl-1H-pyrazol-3-amine
4-{4-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl}but-3-yn-2-amine
(2R,3S,3aR,4aS,5aR,5bR)-3-Fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)octahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-3a,5a-diyl diacetate
(5R)-5-Amino-1-methyl-piperidin-2-one diHCl
Rel-tert-butyl (1R,5R,8S)-8-hydroxy-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.