ChemSpider 2D Image | 4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID | C37H45N4O7P

4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID

  • Molecular FormulaC37H45N4O7P
  • Average mass688.750 Da
  • Monoisotopic mass688.302612 Da
  • ChemSpider ID571301
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

{4-[(10R,11E,14S,18S)-18-(2-Amino-2-oxoethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzyl}phosphonic acid [ACD/IUPAC Name]
{4-[(10R,11E,14S,18S)-18-(2-Amino-2-oxoethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzyl}phosphonsäure [German] [ACD/IUPAC Name]
4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID
Acide {4-[(10R,11E,14S,18S)-18-(2-amino-2-oxoéthyl)-14-(1-naphtylméthyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-én-10-yl]benzyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[4-[(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-(1-naphthalenylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]eicos-11-en-10-yl]phenyl]methyl]- [ACD/Index Name]
({4-[(10R,11E,14S,18S)-18-(carbamoylmethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}methyl)phosphonic acid
({4-[(10R,14S,18S)-18-(carbamoylmethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}methyl)phosphonic acid
{4-[(10R,11E,14S,18S)-18-(carbamoylmethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}methylphosphonic acid
CHEMBL291678
dtf

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 186.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 513.7±5.0 cm3

Click to predict properties on the Chemicalize site






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