(3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one

C7H12O7 — CID 2723843

IUPAC(3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one
SMILESO=C1O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyVIVCRCODGMFTFY-DVKNGEFBSA-N
MW208.17 g/mol
LogP-3.65
Rot. Bonds3

About (3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one

(3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one (PubChem CID 2723843) has the molecular formula C7H12O7 and a molecular weight of 208.17 g/mol. Its IUPAC name is (3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one
PubChem CID2723843
Molecular FormulaC7H12O7
Molecular Weight208.17 g/mol
Exact Mass208.06
IUPAC Name(3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one
SMILESO=C1O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyVIVCRCODGMFTFY-DVKNGEFBSA-N
XLogP-3.65
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-3.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one?
The IUPAC name of (3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one (CID 2723843) is (3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one?
The canonical SMILES for (3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one is O=C1O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one?
The InChIKey is VIVCRCODGMFTFY-DVKNGEFBSA-N. The full InChI is InChI=1S/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1.
What are the key properties of (3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one?
(3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one has a molecular weight of 208.17 g/mol, XLogP of -3.65, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one is sourced from PubChem (CID 2723843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).