ChemSpider 2D Image | (1S,2R,3S,5S,6S,16E,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2 -[methyl(propionyl)amino]propanoate | C35H48ClN3O10

(1S,2R,3S,5S,6S,16E,20R,21S)-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(26),11,13,16,18-pentaen-6-yl (2S)-2 -[methyl(propionyl)amino]propanoate

  • Molecular FormulaC35H48ClN3O10
  • Average mass706.223 Da
  • Monoisotopic mass705.302795 Da
  • ChemSpider ID32747934

  • 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

(1S,2R,3S,5S,6S,16E,20R,21S)-11-Chlor-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(26),11,13,16,18-pentaen-6-yl-(2S)-2- 
[methyl(propionyl)amino]propanoat [German] [ACD/IUPAC Name]
(1S,2R,3S,5S,6S,16E,20R,21S)-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(26),11,13,16,18-pentaen-6-yl (2S)-2 ;-[methyl(propionyl)amino]propanoate [ACD/IUPAC Name]
(2S)-2-[Méthyl(propionyl)amino]propanoate de (1S,2R,3S,5S,6S,16E,20R,21S)-11-chloro-21-hydroxy-12,20-diméthoxy-2,5,9,16-tétraméthyl-8,23-dioxo-4,24-dioxa-9,22-diazatétracyclo[19.3.1.110,14.03,5]he xacosa-10(26),11,13,16,18-pentaén-6-yle [French] [ACD/IUPAC Name]
38997-09-0 [RN]
maytanprine
Maytansine, N(2')-deacetyl-N(2')-(1-oxopropyl)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 900.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.1±3.0 kJ/mol
Flash Point: 498.1±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 181.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 328.18
ACD/KOC (pH 5.5): 2201.05
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 327.19
ACD/KOC (pH 7.4): 2194.43
Polar Surface Area: 156 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 539.8±5.0 cm3

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