Found 1 result

Search term: 32750022 (Found by CSID)
ChemSpider 2D Image | 2-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethyl 1-naphthylacetate | C39H37NO12

2-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethyl 1-naphthylacetate

  • Molecular FormulaC39H37NO12
  • Average mass711.711 Da
  • Monoisotopic mass711.231567 Da
  • ChemSpider ID32750022

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

1-Naphthaleneacetic acid, 2-[(2S,4S)-4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl ester [ACD/Index Name]
1-Naphtylacétate de 2-{(2S,4S)-4-[(3-amino-2,3,6-tridésoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tétracényl}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethyl 1-naphthylacetate [ACD/IUPAC Name]
2-{(2S,4S)-4-[(3-Amino-2,3,6-tridesoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethyl-1-naphthylacetat [German] [ACD/IUPAC Name]
2-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl 2-(naphthalen-1-yl)acetate
64161-91-7 [RN]
6-METHOXY-2-NAPHTHYLACETIC ACID
ADRIAMYCIN-14-NAPHTHYLACETATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 926.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.2±3.0 kJ/mol
Flash Point: 514.2±34.3 °C
Index of Refraction: 1.720
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 10.50
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 29.42
ACD/KOC (pH 7.4): 127.25
Polar Surface Area: 212 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 87.9±5.0 dyne/cm
Molar Volume: 464.5±5.0 cm3

Click to predict properties on the Chemicalize site


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