ChemSpider 2D Image | (3beta,4beta,5beta,6beta,7beta,9beta,10beta,11E,13E)-O~9~-Methylmaytansine | C35H48ClN3O10

(3β,4β,5β,6β,7β,9β,10β,11E,13E)-O9-Methylmaytansine

  • Molecular FormulaC35H48ClN3O10
  • Average mass706.223 Da
  • Monoisotopic mass705.302795 Da
  • ChemSpider ID34242180

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,4β,5β,6β,7β,9β,10β,11E,13E)-O9-Methylmaytansin [German] [ACD/IUPAC Name]
(3β,4β,5β,6β,7β,9β,10β,11E,13E)-O9-Methylmaytansine [ACD/IUPAC Name]
Maytansine, O9-methyl-, (2'S,5α,11E,13E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 874.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 482.7±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 181.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 619.78
ACD/KOC (pH 5.5): 3469.52
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 614.53
ACD/KOC (pH 7.4): 3440.19
Polar Surface Area: 145 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 548.5±5.0 cm3

Click to predict properties on the Chemicalize site


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