(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

Modify Date: 2024-01-09 19:18:52

(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 Structure
(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 structure
Common 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
CAS Number 102583-47-1 Molecular Weight 513.49000
Density 1.76g/cm3 Boiling Point 857.3ºC at 760mmHg
Molecular Formula C20H35NO14 Melting Point N/A
MSDS N/A Flash Point 472.3ºC

 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 More Synonyms

 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

~%

(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 Structure

(2S,3R,4R,5S,6S...

CAS#:102583-47-1

Literature: Ogawa, Seiichiro; Miyamoto, Yasunobu; Nose, Taisuke Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1988 , p. 2675 - 2680

~%

(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 Structure

(2S,3R,4R,5S,6S...

CAS#:102583-47-1

Literature: Almabruk, Khaled H.; Asamizu, Shumpei; Chang, Ada; Varghese, Sheril G.; Mahmud, Taifo ChemBioChem, 2012 , vol. 13, # 15 p. 2209 - 2211,3

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

validamycin B