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Search term: 9402752 (Found by CSID)
ChemSpider 2D Image | Antascomicin B | C37H57NO10

Antascomicin B

  • Molecular FormulaC37H57NO10
  • Average mass675.849 Da
  • Monoisotopic mass675.398254 Da
  • ChemSpider ID9402752

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-16,20-dien-2,3,10,22 
-tetron [German] [ACD/IUPAC Name]
(1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-16,20-diene-2,3,10,2 
2-tetrone [ACD/IUPAC Name]
(1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-triméthyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-16,20-diène-2,3,10,2 
2-tétrone [French] [ACD/IUPAC Name]
15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,13,20,21(4H,23H)-tetrone, 5,6,9,10,14,15,16,17,18,19,24,25,26,26a-tetradecahydro-19-hydroxy-6,14,18-trimethyl-3-[(1R)-1-methyl-2-[(1S,2S,3S,4R)- 2,3,4-trihydroxycyclohexyl]ethyl]-, (3S,6S,7E,11E,14R,15S,18R,19R,26aS)- [ACD/Index Name]
Antascomicin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 827.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.9±6.0 kJ/mol
Flash Point: 454.5±37.1 °C
Index of Refraction: 1.570
Molar Refractivity: 178.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.54
ACD/KOC (pH 5.5): 568.67
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.49
ACD/KOC (pH 7.4): 568.08
Polar Surface Area: 171 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 544.5±5.0 cm3

Click to predict properties on the Chemicalize site


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