ChemSpider 2D Image | methyl cyclo[(2s)-2-[[(1r)-1-(n-(l-n-(3-methylbutanoyl)valyl-l-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate | C30H47N4O9P

methyl cyclo[(2s)-2-[[(1r)-1-(n-(l-n-(3-methylbutanoyl)valyl-l-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate

  • Molecular FormulaC30H47N4O9P
  • Average mass638.689 Da
  • Monoisotopic mass638.308044 Da
  • ChemSpider ID392540
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6S,9R,12S) 10-Oxyde de 10-hydroxy-9-isobutyl-6-{[N-(3-méthylbutanoyl)-L-valyl]amino}-4,7-dioxo-11-oxa-3,8-diaza-10-phosphabicyclo[12.3.1]octadéca-1(18),14,16-triène-12-carboxylate de méthyle [French] [ACD/IUPAC Name]
11-Oxa-3,8-diaza-10-phosphabicyclo[12.3.1]octadeca-1(18),14,16-triene-12-carboxylic acid, 10-hydroxy-6-[[(2S)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-9-(2-methylpropyl)-4,7-dioxo-, m ethyl ester, 10-oxide, (6S,9R,12S)- [ACD/Index Name]
Methyl (6S,9R,12S)-10-hydroxy-9-isobutyl-6-{[N-(3-methylbutanoyl)-L-valyl]amino}-4,7-dioxo-11-oxa-3,8-diaza-10-phosphabicyclo[12.3.1]octadeca-1(18),14,16-triene-12-carboxylate 10-oxide [ACD/IUPAC Name]
methyl cyclo[(2s)-2-[[(1r)-1-(n-(l-n-(3-methylbutanoyl)valyl-l-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate
Methyl-(6S,9R,12S)-10-hydroxy-9-isobutyl-6-{[N-(3-methylbutanoyl)-L-valyl]amino}-4,7-dioxo-11-oxa-3,8-diaza-10-phosphabicyclo[12.3.1]octadeca-1(18),14,16-trien-12-carboxylat-10-oxid [German] [ACD/IUPAC Name]
PP7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.545
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 199 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 514.2±5.0 cm3

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