ChemSpider 2D Image | taurospongin A | C40H71NO9S

taurospongin A

  • Molecular FormulaC40H71NO9S
  • Average mass742.058 Da
  • Monoisotopic mass741.484924 Da
  • ChemSpider ID4470726

  • 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

2-({(3R,7S,9R)-7-Acetoxy-3-hydroxy-3-methyl-9-[(8Z)-8-pentacosen-4-ynoyloxy]decanoyl}amino)ethanesulfonic acid [ACD/IUPAC Name]
2-({(3R,7S,9R)-7-Acetoxy-3-hydroxy-3-methyl-9-[(8Z)-8-pentacosen-4-ynoyloxy]decanoyl}amino)ethansulfonsäure [German] [ACD/IUPAC Name]
8-Pentacosen-4-ynoic acid, (1R,3S,7R)-3-(acetyloxy)-7-hydroxy-1,7-dimethyl-9-oxo-9-[(2-sulfoethyl)amino]nonyl ester, (8Z)- [ACD/Index Name]
Acide 2-({(3R,7S,9R)-7-acétoxy-3-hydroxy-3-méthyl-9-[(8Z)-8-pentacosen-4-ynoyloxy]decanoyl}amino)éthanesulfonique [French] [ACD/IUPAC Name]
taurospongin A

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.500
Molar Refractivity: 204.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 265.58
ACD/KOC (pH 5.5): 200.56
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 226.13
ACD/KOC (pH 7.4): 170.77
Polar Surface Area: 165 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 695.5±3.0 cm3

Click to predict properties on the Chemicalize site


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