ChemSpider 2D Image | Pirarubicin | C32H37NO12

Pirarubicin

  • Molecular FormulaC32H37NO12
  • Average mass627.636 Da
  • Monoisotopic mass627.231567 Da
  • ChemSpider ID2298189

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-4-O-[(2R)-tetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-4-O-[(2R)-tetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
(3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-[(2R)-tetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranoside
3-Amino-2,3,6-tridésoxy-4-O-[(2R)-tétrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranoside de (3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[[3-amino-2,3,6-trideoxy-4-O-[(2R)-tetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S)- [ACD/Index Name]
Pirarubicin [INN] [JP15] [Wiki]
Pirarubicina [Spanish] [INN]
Pirarubicine [French] [INN]
Pirarubicinum [Latin] [INN]
(2''R)-4'-O-Tetrahydropyranyladriamycin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 834.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.6±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.85
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.18
Polar Surface Area: 204 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 413.3±5.0 cm3

Click to predict properties on the Chemicalize site


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