ChemSpider 2D Image | Elsamitrucin | C33H35NO13

Elsamitrucin

  • Molecular FormulaC33H35NO13
  • Average mass653.630 Da
  • Monoisotopic mass653.210815 Da
  • ChemSpider ID4514988

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

10-[[2-O-(2-Amino-2,6-dideoxy-3-O-methyl-a-D-galactopyranosyl)-6-deoxy-3-C-methyl-b-D-galactopyranosyl]oxy]-6-hydroxy-1-methylbenzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione
10-O-Elsaminosylelsarosylchartarin
2-O-(2-Amino-2,6-didésoxy-3-O-méthyl-α-D-galactopyranosyl)-6-désoxy-3-C-méthyl-β-D-galactopyranoside de 6-hydroxy-1-méthyl-5,12-dioxo-5,12-dihydrobenzo[h]chroméno[5,4,3-cde]chromén-10-yle [French] [ACD/IUPAC Name]
6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 2-O-(2-amino-2,6-dideoxy-3-O-methyl-α-D-galactopyranosyl)-6-deoxy-3-C-methyl-β-D-galactopyranoside [ACD/IUPAC Name]
6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl-2-O-(2-amino-2,6-didesoxy-3-O-methyl-α-D-galactopyranosyl)-6-desoxy-3-C-methyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
97068-30-9 [RN]
BBM 2478A
Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((2-O-(2-amino-2,6-dideoxy-3-O-methyl-α-D-galactopyranosyl)-6-deoxy-3-C-methyl-β-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-
Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 10-[[2-O-(2-amino-2,6-dideoxy-3-O-methyl-α-D- galactopyranosyl)-6-deoxy-3-C-methyl-β-D- galactopyranosyl]oxy]-6-hydroxy-1-methyl-
Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 10-[[2-O-(2-amino-2,6-dideoxy-3-O-methyl-α-D-galactopyranosyl)-6-deoxy-3-C-methyl-β-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6507 [DBID]
BMY 28090 [DBID]
BMS-181171 [DBID]
BMY-28090 [DBID]
BRN 5214813 [DBID]
NSC-369327 [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: 913.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 506.1±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.62
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 5.10
ACD/KOC (pH 7.4): 36.03
Polar Surface Area: 206 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 85.8±5.0 dyne/cm
Molar Volume: 414.5±5.0 cm3

Click to predict properties on the Chemicalize site


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