ChemSpider 2D Image | (1R,14S)-20,26-Dimethoxy-15,31-dimethyl-8,24-dioxa-15,31-diazaheptacyclo[23.6.2.2~9,12~.1~3,7~.1~14,18~.0~22,34~.0~28,32~]heptatriaconta-3(37),4,6,9,11,18(34),19,21,25,27,32,35-dodecaene-6,21-diol | C37H40N2O6

(1R,14S)-20,26-Dimethoxy-15,31-dimethyl-8,24-dioxa-15,31-diazaheptacyclo[23.6.2.29,12.13,7.114,18.022,34.028,32]heptatriaconta-3(37),4,6,9,11,18(34),19,21,25,27,32,35-dodecaene-6,21-diol

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID66129
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,14S)-20,26-Dimethoxy-15,31-dimethyl-8,24-dioxa-15,31-diazaheptacyclo[23.6.2.29,12.13,7.114,18.022,34.028,32]heptatriaconta-3(37),4,6,9,11,18(34),19,21,25,27,32,35-dodecaen-6,21-diol [German] [ACD/IUPAC Name]
(1R,14S)-20,26-Dimethoxy-15,31-dimethyl-8,24-dioxa-15,31-diazaheptacyclo[23.6.2.29,12.13,7.114,18.022,34.028,32]heptatriaconta-3(37),4,6,9,11,18(34),19,21,25,27,32,35-dodecaene-6,21-diol [ACD/IUPAC Name]
(1R,14S)-20,26-Diméthoxy-15,31-diméthyl-8,24-dioxa-15,31-diazaheptacyclo[23.6.2.29,12.13,7.114,18.022,34.028,32]heptatriaconta-3(37),4,6,9,11,18(34),19,21,25,27,32,35-dodécaène-6,21-diol [French] [ACD/IUPAC Name]
208-946-8 [EINECS]
548-40-3 [RN]
(1r,14s)-20,26-dimethoxy-15,31-dimethyl-8,24-dioxa-15,31-diazaheptacyclo[23.6.2.29,12.13,7.114,18.022,34.028,32]heptatriaconta-3(37),4,6,9,11,18(34),19,21,25,27,32,35-dodecaene-6,21-diol(non-preferred name)
28639-25-0 [RN]
2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol, 3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, (4aR,16aS)-
6,6',7-Trimethoxy-2,2'-dimethyl-oxyacanthan-12'-ol
62018-86-4 [RN]
More...

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

5BD0KNF4AT [DBID]
AIDS012174 [DBID]
AIDS-012174 [DBID]
BRN 0078853 [DBID]
NSC 93135 [DBID]
NSC93135 [DBID]
UNII:5BD0KNF4AT [DBID]
UNII-5BD0KNF4AT [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 396.5±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 173.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1008.26
ACD/KOC (pH 7.4): 2594.31
Polar Surface Area: 84 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 497.7±3.0 cm3

Click to predict properties on the Chemicalize site






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