Found 40 results

Search term: MF = 'C_{28}H_{32}O_{13}'
ChemSpider 2D Image | Dimethyl (2aR,3S,4S,4aR,5S,7aR,10aS,10bR)-3,5-dihydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0~2,6~.0~9,11~]dodec-3-en-9-yl]-4-methyl-10-oxo-2a,3,4,4a,5,10b-hexahy dro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(10H)-dicarboxylate | C28H32O13

Dimethyl (2aR,3S,4S,4aR,5S,7aR,10aS,10bR)-3,5-dihydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-4-methyl-10-oxo-2a,3,4,4a,5,10b-hexahy dro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(10H)-dicarboxylate

  • Molecular FormulaC28H32O13
  • Average mass576.546 Da
  • Monoisotopic mass576.184265 Da
  • ChemSpider ID9138094

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2aR,3S,4S,4aR,5S,7aR,10aS,10bR)-3,5-Dihydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-méthyl-5,7,10-trioxatétracyclo[6.3.1.02,6.09,11]dodéc-3-én-9-yl]-4-méthyl-10-oxo-2a,3,4,4a,5,10b-hexahydro-1H-fu ro[3',4':4,4a]naphto[1,8-bc]furane-5,10a(10H)-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1H,7H-Naphtho[1,8a-c:4,5-b'c']difuran-5,10a(10H)-dicarboxylic acid, 2a,3,4,4a,5,10b-hexahydro-3,5-dihydroxy-4-methyl-10-oxo-4-[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-me thanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aR,10aS,10bR)- [ACD/Index Name]
Dimethyl (2aR,3S,4S,4aR,5S,7aR,10aS,10bR)-3,5-dihydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-4-methyl-10-oxo-2a,3,4,4a,5,10b-hexahy
 dro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(10H)-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(2aR,3S,4S,4aR,5S,7aR,10aS,10bR)-3,5-dihydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-4-methyl-10-oxo-2a,3,4,4a,5,10b-hexahy
 dro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(10H)-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 748.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.4±6.0 kJ/mol
Flash Point: 248.7±26.4 °C
Index of Refraction: 1.669
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.71
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.70
Polar Surface Area: 180 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 354.5±5.0 cm3

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