Found 2 results

Search term: YRVFEFCFOASRGD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,10R,12S,14S,17S,19S,21R)-8-Hydroxy-3,6,10,13,14,19-hexamethyl-24,27-dioxa-23-azaheptacyclo[11.10.3.1~17,21~.0~1,14~.0~3,12~.0~4,9~.0~17,23~]heptacosa-4,6,8-triene-11,25-dione | C30H39NO5

(3R,10R,12S,14S,17S,19S,21R)-8-Hydroxy-3,6,10,13,14,19-hexamethyl-24,27-dioxa-23-azaheptacyclo[11.10.3.117,21.01,14.03,12.04,9.017,23]heptacosa-4,6,8-triene-11,25-dione

  • Molecular FormulaC30H39NO5
  • Average mass493.634 Da
  • Monoisotopic mass493.282837 Da
  • ChemSpider ID75554166

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3R,10R,12S,14S,17S,19S,21R)-8-Hydroxy-3,6,10,13,14,19-hexamethyl-24,27-dioxa-23-azaheptacyclo[11.10.3.117,21.01,14.03,12.04,9.017,23]heptacosa-4,6,8-trien-11,25-dion [German] [ACD/IUPAC Name]
(3R,10R,12S,14S,17S,19S,21R)-8-Hydroxy-3,6,10,13,14,19-hexamethyl-24,27-dioxa-23-azaheptacyclo[11.10.3.117,21.01,14.03,12.04,9.017,23]heptacosa-4,6,8-triene-11,25-dione [ACD/IUPAC Name]
(3R,10R,12S,14S,17S,19S,21R)-8-Hydroxy-3,6,10,13,14,19-hexaméthyl-24,27-dioxa-23-azaheptacyclo[11.10.3.117,21.01,14.03,12.04,9.017,23]heptacosa-4,6,8-triène-11,25-dione [French] [ACD/IUPAC Name]
5H,10H-9a,13-Epoxy-15a,7-(epoxyethano)azepino[1,2-a]naphtho[2,1-g]quinoline-6,18(9H)-dione, 6a,7,7a,8,11,12,13,14,16,16a-decahydro-4-hydroxy-2,5,7,7a,11,16a-hexamethyl-, (5R,6aS,7aS,9aS,11S,13R,16aR)- [ACD/Index 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: 628.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 333.7±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1015.49
ACD/KOC (pH 5.5): 4240.23
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1715.14
ACD/KOC (pH 7.4): 7161.64
Polar Surface Area: 76 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 380.7±5.0 cm3

Click to predict properties on the Chemicalize site


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