3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one

C7H10O5 — CID 10654808

IUPAC3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one
SMILESO=C1C=C([C@@H](O)[C@H](O)CO)CO1
InChIInChI=1S/C7H10O5/c8-2-5(9)7(11)4-1-6(10)12-3-4/h1,5,7-9,11H,2-3H2/t5-,7-/m1/s1
InChIKeyHGSNSVPUPKRBBJ-IYSWYEEDSA-N
MW174.15 g/mol
LogP-1.82
Rot. Bonds3

About 3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one

3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one (PubChem CID 10654808) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one
PubChem CID10654808
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one
SMILESO=C1C=C([C@@H](O)[C@H](O)CO)CO1
InChIInChI=1S/C7H10O5/c8-2-5(9)7(11)4-1-6(10)12-3-4/h1,5,7-9,11H,2-3H2/t5-,7-/m1/s1
InChIKeyHGSNSVPUPKRBBJ-IYSWYEEDSA-N
XLogP-1.82
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Aruncin A
CID 54586593
3-[(1S,2S)-1,2-dihydroxy-4-methylpent-3-enyl]-2H-furan-5-one
CID 163007523
Syributin 1
CID 11778006
Xylogiblactone B
CID 101882366
Aspersclerolide B
CID 146682629
Desoxyascorbinsaure
CID 102600573
3-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one
CID 10680117
4-(1,2,3-Trihydroxypropyl)-2(5h)-furanone
CID 85221597
D-Galactoascorbic acid
CID 102371034
(4r,5s)-Ethyl-3-methyl-4,5-dihydroxy-hex-2-enoate
CID 129720679
2-(1,4-dihydroxybutyl)-4-methyl-2H-furan-5-one
CID 134856184
(4r,7r)-4,7-Dihydroxy-4,5,7,7a-tetrahydro-furo[2,3-c]pyran-2-one
CID 138756296

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one?
The IUPAC name of 3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one (CID 10654808) is 3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one?
The canonical SMILES for 3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one is O=C1C=C([C@@H](O)[C@H](O)CO)CO1.
What is the InChIKey of 3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one?
The InChIKey is HGSNSVPUPKRBBJ-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H10O5/c8-2-5(9)7(11)4-1-6(10)12-3-4/h1,5,7-9,11H,2-3H2/t5-,7-/m1/s1.
What are the key properties of 3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one?
3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one has a molecular weight of 174.15 g/mol, XLogP of -1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one is sourced from PubChem (CID 10654808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).