ChemSpider 2D Image | Virustomycin A | C48H71NO14

Virustomycin A

  • Molecular FormulaC48H71NO14
  • Average mass886.076 Da
  • Monoisotopic mass885.487427 Da
  • ChemSpider ID29272185

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(5R)-2,4-Dideoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxy-2-pe ;ntanyl}-3-O-{(2E)-4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-2-butenoyl}-4-methyl-5-[(1E)-1-propen-1-yl]-α-D-threo-pentopyranose [ACD/IUPAC Name]
(5R)-2,4-Didesoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxy-2-p ;entanyl}-3-O-{(2E)-4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-2-butenoyl}-4-methyl-5-[(1E)-1-propen-1-yl]-α-D-threo-pentopyranose [German] [ACD/IUPAC Name]
(5R)-2,4-Didésoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-éthyl-10,12-dihydroxy-3,17-diméthoxy-7,9,13,15-tétraméthyl-18-oxooxacyclooctadéca-4,6,14,16-tétraén-2-yl]-3-hydroxy-2-p ;entanyl}-3-O-{(2E)-4-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)amino]-4-oxo-2-butenoyl}-4-méthyl-5-[(1E)-1-propén-1-yl]-α-D-thréo-pentopyranose [French] [ACD/IUPAC Name]
84777-85-5 [RN]
Virustomycin A
α-D-threo-Pentopyranose, 2,4-dideoxy-1-C-[(1S,2R,3S)-3-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetr aen-2-yl]-2-hydroxy-1-methylbutyl]-3-O-[(2E)-4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-1,4-dioxo-2-buten-1-yl]-4-methyl-5-C-[(1E)-1-propen-1-yl]-, (5R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 989.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.5±6.0 kJ/mol
Flash Point: 552.1±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 236.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 3.91
ACD/KOC (pH 5.5): 27.73
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 93.8±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 722.1±5.0 cm3

Click to predict properties on the Chemicalize site


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