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Search term: IYXRQFVHZFEWSY-UHFFFAOYAM
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Inherent Properties, Identifiers and References
ChemSpider ID: 99404
Empirical Formula: C17H21NO4
Molecular Weight: 303.3529
Nominal Mass: 303 Da
Average Mass: 303.3529 Da
Monoisotopic Mass: 303.147058 Da
Systematic Name:
SMILES: O.OC2\C=C/C5C4N(CCC51c3c(OC12)c(O)ccc3C4)C
InChI: InChI=1/C17H19NO3.H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19​)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H2​
InChIKey: IYXRQFVHZFEWSY-UHFFFAOYAM
Std. InChI: InChI=1S/C17H19NO3.H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(1​9)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H​2
Std. InChIKey: IYXRQFVHZFEWSY-UHFFFAOYSA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

17-Methyl​-7,8-dide​hydro-4,5​-epoxymor​phinan-3,​6-diol hy​drate (1:​1)

6009-81-0 [RN]

Morphinan​-3,6-diol​, 7,8-did​ehydro-4,​5-epoxy-1​7-methyl-​ (5-alpha​,6-alpha)​-, monohy​drate

morphinan​-3,6-diol​, 7,8-did​ehydro-4,​5-epoxy-1​7-methyl-​, hydrate​ (1:1)

Morphine ​monohydra​te

(Details...) ACD/Labs Predicted Properties
ACD/LogP: 0.43 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -2.09 ACD/LogD (pH 7.4): -0.4
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 6.06
#H bond acceptors: 4 #H bond donors: 2
#Freely Rotating Bonds: 2 Polar Surface Area: 30.93 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 241.8 °C Enthalpy of Vaporization: 77.95 kJ/mol
Boiling Point: 476.2 °C at 760 mmHg Vapour Pressure: 7.06E-10 mmHg at 25°C