ChemSpider 2D Image | clavosine A | C60H101N4O20P

clavosine A

  • Molecular FormulaC60H101N4O20P
  • Average mass1229.432 Da
  • Monoisotopic mass1228.674683 Da
  • ChemSpider ID10275393

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(2R,3R,5S,7S,8S,9S)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-15-Amino-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-15-oxo-7,9,11,13-pentadecatetraen-1-yl]-7-[(2E)-3-{2-[(2S,4R)-4-{[(2S,3S,4S)-4-(dimethylam ino)-2,3-dihydroxy-5-methoxypentanoyl]amino}-2-pentanyl]-1,3-oxazol-4-yl}-2-propen-1-yl]-4,4,8-trimethyl-9-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1,6-dioxaspiro[4.5] dec-3-yl dihydrogen phosphate [ACD/IUPAC Name]
(2R,3R,5S,7S,8S,9S)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-15-Amino-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-15-oxo-7,9,11,13-pentadecatetraen-1-yl]-7-[(2E)-3-{2-[(2S,4R)-4-{[(2S,3S,4S)-4-(dimethylam ino)-2,3-dihydroxy-5-methoxypentanoyl]amino}-2-pentanyl]-1,3-oxazol-4-yl}-2-propen-1-yl]-4,4,8-trimethyl-9-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1,6-dioxaspiro[4.5] dec-3-yldihydrogenphosphat [German] [ACD/IUPAC Name]
clavosine A
Dihydrogénophosphate de (2R,3R,5S,7S,8S,9S)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-15-amino-3,5-dihydroxy-1-méthoxy-4,6,8,9,13-pentaméthyl-15-oxo-7,9,11,13-pentadécatétraén-1-yl]-7-[(2E)-3-{2-[(2S,4R)-4-{[ (2S,3S,4S)-4-(diméthylamino)-2,3-dihydroxy-5-méthoxypentanoyl]amino}-2-pentanyl]-1,3-oxazol-4-yl}-2-propén-1-yl]-4,4,8-triméthyl-9-{[(2R,3R,4R,5S,6S)-3,4,5-triméthoxy-6-méthyltétrahydro-2H-pyran-2-yl] oxy}-1,6-dioxaspiro[4.5]déc-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.560
Molar Refractivity: 318.0±0.4 cm3
#H bond acceptors: 24
#H bond donors: 9
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 342 Å2
Polarizability: 126.1±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 983.5±5.0 cm3

Click to predict properties on the Chemicalize site


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