Chemical Properties of Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl

Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl

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InChI
InChI=1S/C15H24N4O3/c1-4-8-18-13-12(17(3)10-16-13)14(21)19(15(18)22)9-6-5-7-11(2)20/h10-11,20H,4-9H2,1-3H3
InChI Key
CFWGPJYVEQHOKP-UHFFFAOYSA-N
Formula
C15H24N4O3
SMILES
CCCn1c(=O)n(CCCCC(C)O)c(=O)c2c1ncn2C
Molecular Weight1
308.38
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Physical Properties

Property Value Unit Source
ω 1.0477 Relay (... Calculated Property
ΔfG° 107.74 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -479.28 kJ/mol Relay (... Calculated Property
ΔvapH° 122.53 kJ/mol Relay (... Calculated Property
IE 8.26 eV Relay (... Calculated Property
log10WS -1.61 Relay (... Calculated Property
logPoct/wat 0.858 Crippen Calculated Property
McVol 240.820 ml/mol McGowan Calculated Property
Pc 1589.64 kPa Relay (... Calculated Property ⚠️
Inp 2575.00 NIST
Tboil 684.04 K Relay (... Calculated Property
Tc 961.93 K Relay (... Calculated Property
Tfus 426.66 K Relay (... Calculated Property
Vc 0.934 m3/kmol Relay (... Calculated Property

Similar Compounds

Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl, TMS. 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. Pentifylline. 1-(5',6'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1-(6'-oxoheptyl)-3,7-dimethylxanthine. Adenosine, 2'-deoxy-N-(trimethylsilyl)-3'-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. erythro-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi).

Find more compounds similar to Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl.

Sources

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