(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one

C10H14O7 — CID 175779096

IUPAC(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one
SMILESO=C(c1ccco1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H14O7/c11-4-5(12)7(13)9(15)10(16)8(14)6-2-1-3-17-6/h1-3,5,7,9-13,15-16H,4H2/t5-,7-,9-,10+/m1/s1
InChIKeyCOAGZPMUBDMREB-PXMQNUKVSA-N
MW246.22 g/mol
LogP-2.10
Rot. Bonds6

About (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one

(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one (PubChem CID 175779096) has the molecular formula C10H14O7 and a molecular weight of 246.22 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one
PubChem CID175779096
Molecular FormulaC10H14O7
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one
SMILESO=C(c1ccco1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H14O7/c11-4-5(12)7(13)9(15)10(16)8(14)6-2-1-3-17-6/h1-3,5,7,9-13,15-16H,4H2/t5-,7-,9-,10+/m1/s1
InChIKeyCOAGZPMUBDMREB-PXMQNUKVSA-N
XLogP-2.10
TPSA131.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one with MolForge

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Related Compounds

1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid
CID 174479869
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528
3-(furan-2-yl)-2-hydroxy-3-oxopropanal
CID 174854524
(2S)-2-[[(1R,2S,3R,4R)-1-(furan-2-yl)-2,3,4,5-tetrahydroxypentyl]amino]butanoic acid
CID 59083594
1-(furan-2-yl)-2-(hydroxymethyl)hexan-1-one
CID 45101558
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-(2-methoxyphenyl)hexan-1-one
CID 118952443
(2R,3S,4S,5R)-1-benzylsulfonyl-2,3,4,5,6-pentahydroxyhexan-1-one
CID 141075119
furo[3,2-b]furan;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 23619316
(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
CID 92529727
2-bromo-1-(furan-2-yl)butan-1-one
CID 45081165

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one?
The IUPAC name of (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one (CID 175779096) is (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one.
What is the SMILES notation for (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one?
The canonical SMILES for (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one is O=C(c1ccco1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one?
The InChIKey is COAGZPMUBDMREB-PXMQNUKVSA-N. The full InChI is InChI=1S/C10H14O7/c11-4-5(12)7(13)9(15)10(16)8(14)6-2-1-3-17-6/h1-3,5,7,9-13,15-16H,4H2/t5-,7-,9-,10+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one?
(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one has a molecular weight of 246.22 g/mol, XLogP of -2.10, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one is sourced from PubChem (CID 175779096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).