PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | Valrubicin | C34H36F3NO13

Valrubicin

  • Molecular FormulaC34H36F3NO13
  • Average mass723.644 Da
  • Monoisotopic mass723.213867 Da
  • ChemSpider ID399974
  • defined stereocentres - 6 of 6 defined stereocentres


More details:



Featured data source



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

(2S-cis)-Pentanoic Acid 2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-a-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl Ester
2C6NUM6878
2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl valerate [ACD/IUPAC Name]
2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate
2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl valerate
2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-tridesoxy-3-[(trifluoracetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethylvalerat [German] [ACD/IUPAC Name]
56124-62-0 [RN]
7750
N-Trifluoroacetyladriamycin 14-valerate
N-Trifluoroacetyldoxorubicin 14-valerate
More...

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

AD 32 [DBID]
AD-32 [DBID]
AIDS004409 [DBID]
AIDS-004409 [DBID]
NSC 246131 [DBID]
NSC246131 [DBID]
NSC-246131 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 867.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 478.6±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 826.07
ACD/KOC (pH 5.5): 4229.50
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 256.99
ACD/KOC (pH 7.4): 1315.82
Polar Surface Area: 215 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 469.8±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement