ChemSpider 2D Image | (4beta,6beta,7beta,9beta)-Maytansine | C34H46ClN3O10

(4β,6β,7β,9β)-Maytansine

  • Molecular FormulaC34H46ClN3O10
  • Average mass692.196 Da
  • Monoisotopic mass691.287170 Da
  • ChemSpider ID4445135

  • 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

(4β,6β,11E,13Z)-Maytansine [French] [ACD/IUPAC Name]
(4β,6β,7β,9β)-Maytansin [German] [ACD/IUPAC Name]
(4β,6β,7β,9β)-Maytansine [ACD/IUPAC Name]
Maytansine, (2'S,3β,10β)- [ACD/Index Name]
L-Alanine, N-acetyl-N-methyl-, 11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo(19.3.1.110,14.03,5)hexacosa-10,12,14(26),16,18-pentaen-6-yl ester, (1S-(1R*,2S*,3R*,5R*,6R*,16E,18E,20S*,21R*))-
Maitansina [Spanish] [INN]
Maitansine [INN] [Wiki]
Maitansinum [Latin]
Maytansine [ACD/Index Name] [USAN]
N-Acetyl-N-methyl-L-alanine(1S-(1R*,2S*,3R*,5R*,6R*,16E,18E,20S*,21R*))-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethy-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo(19.3.1.1(sup 10,14).0(sup 3,5))hexacosa-10,12,14(26),16,18-pentaen-6-yl ester

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

BRN 5417399 [DBID]
C10606 [DBID]
NSC 153858 [DBID]
NSC153858 [DBID]
NSC-153858 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 895.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 495.1±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 176.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.33
ACD/KOC (pH 5.5): 1422.44
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.79
ACD/KOC (pH 7.4): 1418.15
Polar Surface Area: 156 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 523.8±5.0 cm3

Click to predict properties on the Chemicalize site


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