ChemSpider 2D Image | (5R,8S)-8-(3-Carbamimidamidophenyl)-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide | C21H27N4O7P

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

  • Molecular FormulaC21H27N4O7P
  • Average mass478.435 Da
  • Monoisotopic mass478.161743 Da
  • ChemSpider ID25060250

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

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

922 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -2.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 334.4±7.0 cm3

Click to predict properties on the Chemicalize site


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