ChemSpider 2D Image | (5R,8S)-8-(3-Carbamimidamidophenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide | C24H31N4O7P

(5R,8S)-8-(3-Carbamimidamidophenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide

  • Molecular FormulaC24H31N4O7P
  • Average mass518.499 Da
  • Monoisotopic mass518.193054 Da
  • ChemSpider ID25056672

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5r,6r,8s)-8-(3-{[amino(Imino)methyl]amino}phenyl)-5-Cyclohexyl-6-Hydroxy-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide
(5R,8S)-8-(3-Carbamimidamidophenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide [ACD/IUPAC Name]
(5R,8S)-8-(3-Carbamimidamidophenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-säure-6-oxid [German] [ACD/IUPAC Name]
Acide (5R,8S) 6-oxyde de 8-(3-carbamimidamidophényl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phényl-2,7-dioxa-4-aza-6-phosphanonan-9-oïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[[(Z)-aminoiminomethyl]amino]-α-[[[(R)-cyclohexyl[[(phenylmethoxy)carbonyl]amino]methyl]hydroxyphosphinyl]oxy]-, (αS)- [ACD/Index Name]

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

414 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 129.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.70
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: 194 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 355.7±7.0 cm3

Click to predict properties on the Chemicalize site


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