Chemical Properties of Isothipendyl M (nor-hydroxy-), acetylated

Isothipendyl M (nor-hydroxy-), acetylated

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InChI
InChI=1S/C19H21N3O3S/c1-12(21(4)13(2)23)11-22-16-8-7-15(25-14(3)24)10-18(16)26-17-6-5-9-20-19(17)22/h5-10,12H,11H2,1-4H3
InChI Key
UVYHWCWLXCOADB-UHFFFAOYSA-N
Formula
C19H21N3O3S
SMILES
CC(=O)Oc1ccc2c(c1)Sc1cccnc1N2CC(C)N(C)C(C)=O
Molecular Weight1
371.45
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Physical Properties

Property Value Unit Source
ω 0.8133 Relay (... Calculated Property
ΔfG° 70.08 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -323.97 kJ/mol Relay (... Calculated Property
ΔvapH° 123.95 kJ/mol Relay (... Calculated Property
IE 7.41 eV Relay (... Calculated Property
log10WS -3.51 Relay (... Calculated Property
logPoct/wat 3.476 Crippen Calculated Property
McVol 275.490 ml/mol McGowan Calculated Property
Pc 1946.57 kPa Relay (... Calculated Property ⚠️
Inp 2940.00 NIST
Tboil 722.40 K Relay (... Calculated Property
Tc 1012.20 K Relay (... Calculated Property
Tfus 416.08 K Relay (... Calculated Property
Vc 0.979 m3/kmol Relay (... Calculated Property

Similar Compounds

Isothipendyl M (nor-), acetylated. Isothipendyl M (hydroxy-), acetylated. Isothipendyl M (bis-nor-), acetylated. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Isothipendyl M (nor-hydroxy-), acetylated.

Sources

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