ChemSpider 2D Image | [(3-{(4R,5S,6S,7R)-3-[(3-Amino-1H-indazol-5-yl)methyl]-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl}propoxy)methyl]phosphonic acid | C31H38N5O7P

[(3-{(4R,5S,6S,7R)-3-[(3-Amino-1H-indazol-5-yl)methyl]-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl}propoxy)methyl]phosphonic acid

  • Molecular FormulaC31H38N5O7P
  • Average mass623.636 Da
  • Monoisotopic mass623.250854 Da
  • ChemSpider ID20561608

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3-{(4R,5S,6S,7R)-3-[(3-Amino-1H-indazol-5-yl)methyl]-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl}propoxy)methyl]phosphonic acid [ACD/IUPAC Name]
[(3-{(4R,5S,6S,7R)-3-[(3-Amino-1H-indazol-5-yl)methyl]-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl}propoxy)methyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(3-{(4R,5S,6S,7R)-3-[(3-amino-1H-indazol-5-yl)méthyl]-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazépan-1-yl}propoxy)méthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[3-[(4R,5S,6S,7R)-3-[(3-amino-1H-indazol-5-yl)methyl]hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepin-1-yl]propoxy]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 920.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.2±3.0 kJ/mol
Flash Point: 510.2±37.1 °C
Index of Refraction: 1.686
Molar Refractivity: 165.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.62
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 79.7±3.0 dyne/cm
Molar Volume: 435.7±3.0 cm3

Click to predict properties on the Chemicalize site


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