ChemSpider 2D Image | Daunorubicinol | C27H31NO10

Daunorubicinol

  • Molecular FormulaC27H31NO10
  • Average mass529.536 Da
  • Monoisotopic mass529.194824 Da
  • ChemSpider ID391927

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(13S)-13-Dihydrodaunorubicin
(1S,3S)-3,5,12-Trihydroxy-3-[(1S)-1-hydroxyethyl]-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3,5,12-Trihydroxy-3-[(1S)-1-hydroxyethyl]-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
28008-55-1 [RN]
3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (1S,3S)-3,5,12-trihydroxy-3-[(1S)-1-hydroxyéthyl]-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-α-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-((1S)-1-hydroxyethyl)-1-methoxy-, (8S,10S)-
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[(1S)-1-hydroxyethyl]-1-methoxy-, (8S,10S)- [ACD/Index Name]
Daunorubicinol
(1S,3S)-3,5,12-trihydroxy-3-[(1S)-1-hydroxyethyl]-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
(8S,10S)-10-((3-AMINO-2,3,6-TRIDEOXY-α-L-LYXO-HEXOPYRANOSYL)OXY)-6,8,11-TRIHYDROXY-8-((1RS)-1-HYDROXYETHYL)-1-METHOXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

YDU8YIP30L [DBID]
C12433 [DBID]
UNII:YDU8YIP30L [DBID]
UNII-YDU8YIP30L [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: 772.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 420.7±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.98
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.33
Polar Surface Area: 189 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 89.7±5.0 dyne/cm
Molar Volume: 340.5±5.0 cm3

Click to predict properties on the Chemicalize site


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