ChemSpider 2D Image | nogalamycin | C39H49NO16

nogalamycin

  • Molecular FormulaC39H49NO16
  • Average mass787.804 Da
  • Monoisotopic mass787.305115 Da
  • ChemSpider ID4451071
  • defined stereocentres - 13 of 13 defined stereocentres


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

(1R,10S,12S,13R,21R,22S,23R,24R)-10-[(6-Désoxy-3-C-méthyl-2,3,4-tri-O-méthyl-α-L-mannopyranosyl)oxy]-23-(diméthylamino)-4,8,12,22,24-pentahydroxy-1,12-diméthyl-6,17-dioxo-20,25-dioxahexacyclo[19.3 .1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaène-13-carboxylate de méthyle [French] [ACD/IUPAC Name]
1404-15-5 [RN]
1993
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentah ydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R,3S,4R,5R,6R,11S,13S,14R)- [ACD/Index Name]
2,6-epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R,3S,4R,5R,6R,11S,13S,14R)-
L059DCD6IP
L-Nogalose
Methyl (1R,10S,12S,13R,21R,22S,23R,24R)-10-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacycl o[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate [ACD/IUPAC Name]
Methyl (1R,10S,12S,13R,21R,22S,23R,24R)-10-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate
Methyl-(1R,10S,12S,13R,21R,22S,23R,24R)-10-[(6-desoxy-3-C-methyl-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyc lo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-13-carboxylat [German] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

U 15167 [DBID]
NSC 70845 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 899.9±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: 1.649
Molar Refractivity: 191.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 13.43
ACD/KOC (pH 5.5): 64.89
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 10.12
ACD/KOC (pH 7.4): 48.90
Polar Surface Area: 229 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 526.9±5.0 cm3

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