ChemSpider 2D Image | Lurbinectedin | C41H44N4O10S

Lurbinectedin

  • Molecular FormulaC41H44N4O10S
  • Average mass784.874 Da
  • Monoisotopic mass784.277832 Da
  • ChemSpider ID32701856

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,1'R,2'R,3'R,11'S,12'S,14'R)-5',12'-Dihydroxy-6,6'-dimethoxy-7',21',30'-trimethyl-27'-oxo-2,3,4,9-tetrahydrospiro[β-carboline-1,26'-[17,19,28]trioxa[24]thia[13,30]diazaheptacyclo[12.9.6.13,11. 02,13.04,9.015,23.016,20]triaconta[4,6,8,15,20,22]hexaen]-22'-yl acetate [ACD/IUPAC Name]
497871-47-3 [RN]
Lurbinectedin
[(1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] acetate
lurbinectedina
lurbinectédine
lurbinectedinum
MFCD22665743
pm01183
UNII:2CN60TN6ZS
More...

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

2CN60TN6ZS [DBID]
9397 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 205.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 117.09
ACD/KOC (pH 5.5): 688.32
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 502.33
ACD/KOC (pH 7.4): 2952.89
Polar Surface Area: 190 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 88.0±5.0 dyne/cm
Molar Volume: 504.9±5.0 cm3

Click to predict properties on the Chemicalize site


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