6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one

C27H36N2O5 — CID 5272675

IUPAC6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one
SMILESCCCCCCCCCCc1oc2nc(=O)n([C@H]3C[C@H](O)[C@@H](CO)O3)cc2c1-c1ccccc1
InChIInChI=1S/C27H36N2O5/c1-2-3-4-5-6-7-8-12-15-22-25(19-13-10-9-11-14-19)20-17-29(27(32)28-26(20)34-22)24-16-21(31)23(18-30)33-24/h9-11,13-14,17,21,23-24,30-31H,2-8,12,15-16,18H2,1H3/t21-,23+,24+/m0/s1
InChIKeyVGLAVBWKHYFWGL-QPTUXGOLSA-N
MW468.59 g/mol
LogP4.98
Rot. Bonds12

About 6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one

6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one (PubChem CID 5272675) has the molecular formula C27H36N2O5 and a molecular weight of 468.59 g/mol. Its IUPAC name is 6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one
PubChem CID5272675
Molecular FormulaC27H36N2O5
Molecular Weight468.59 g/mol
Exact Mass468.26
IUPAC Name6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one
SMILESCCCCCCCCCCc1oc2nc(=O)n([C@H]3C[C@H](O)[C@@H](CO)O3)cc2c1-c1ccccc1
InChIInChI=1S/C27H36N2O5/c1-2-3-4-5-6-7-8-12-15-22-25(19-13-10-9-11-14-19)20-17-29(27(32)28-26(20)34-22)24-16-21(31)23(18-30)33-24/h9-11,13-14,17,21,23-24,30-31H,2-8,12,15-16,18H2,1H3/t21-,23+,24+/m0/s1
InChIKeyVGLAVBWKHYFWGL-QPTUXGOLSA-N
XLogP4.98
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hexyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octylfuro[2,3-d]pyrimidin-2-one
CID 513876
3-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octylfuro[2,3-d]pyrimidin-2-one
CID 101344548
6-(5-butoxypentyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
CID 511678
6-(4-hexoxyphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
CID 504630
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylpyrimidin-2-one
CID 5274196
6-(4-butyl-2,3,5,6-tetramethylphenyl)-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
CID 58108961
4-(hexylamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 162647981
3-[(4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
CID 3011494
[(2R,3S,5R)-5-(6-decyl-2-oxofuro[2,3-d]pyrimidin-3-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 10367528
6-hept-6-ynyl-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
CID 22211307
[(2R,3S,5R)-3-acetyloxy-5-(5-chloro-2-oxo-6-pentylfuro[2,3-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 102407754
6-hexyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenyl-4,4a-dihydrofuro[2,3-d]pyrimidin-2-one
CID 5272891

Frequently Asked Questions

What is the IUPAC name of 6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one (CID 5272675) is 6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one is CCCCCCCCCCc1oc2nc(=O)n([C@H]3C[C@H](O)[C@@H](CO)O3)cc2c1-c1ccccc1.
What is the InChIKey of 6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one?
The InChIKey is VGLAVBWKHYFWGL-QPTUXGOLSA-N. The full InChI is InChI=1S/C27H36N2O5/c1-2-3-4-5-6-7-8-12-15-22-25(19-13-10-9-11-14-19)20-17-29(27(32)28-26(20)34-22)24-16-21(31)23(18-30)33-24/h9-11,13-14,17,21,23-24,30-31H,2-8,12,15-16,18H2,1H3/t21-,23+,24+/m0/s1.
What are the key properties of 6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one?
6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one has a molecular weight of 468.59 g/mol, XLogP of 4.98, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 5272675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).