ChemSpider 2D Image | [(10R)-16,19-Dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,12,14-tetraoxo-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-2,4(9),6,15,17,19-hexaen-10-yl]methyl (2Z)-2-methyl-2-butenoate | C30H30N2O10

[(10R)-16,19-Dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,12,14-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2,4(9),6,15,17,19-hexaen-10-yl]methyl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC30H30N2O10
  • Average mass578.567 Da
  • Monoisotopic mass578.190063 Da
  • ChemSpider ID28289229

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2Z)-2-Méthyl-2-buténoate de [(10R)-16,19-dihydroxy-7,18-diméthoxy-6,17,21-triméthyl-5,8,12,14-tétraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]hénicosa-2,4(9),6,15,17,19-hexaén-10-yl]mét hyle [French] [ACD/IUPAC Name]
[(10R)-16,19-Dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,12,14-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2,4(9),6,15,17,19-hexaen-10-yl]methyl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
[(10R)-16,19-Dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,12,14-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2,4(9),6,15,17,19-hexaen-10-yl]methyl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, [(9R)-6,7,9,10,13,15-hexahydro-1,4-dihydroxy-2,11-dimethoxy-3,12,16-trimethyl-5,7,10,13-tetraoxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-9-yl]methyl ester, (2Z)- [ACD/Index Name]
(±)-cribrostatin 4

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

Density: 1.5±0.1 g/cm3
Boiling Point: 797.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 436.3±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.46
ACD/KOC (pH 5.5): 1697.72
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 204.99
ACD/KOC (pH 7.4): 1523.31
Polar Surface Area: 160 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 386.8±5.0 cm3

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