(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol

C7H14O4 — CID 58959143

IUPAC(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
SMILESCC1O[C@H](CO)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C7H14O4/c1-4-7(2,10)6(9)5(3-8)11-4/h4-6,8-10H,3H2,1-2H3/t4?,5-,6-,7+/m1/s1
InChIKeyVBZAPPCKINAEQS-BPDFOOOXSA-N
MW162.18 g/mol
LogP-1.12
Rot. Bonds1

About (3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol

(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol (PubChem CID 58959143) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
PubChem CID58959143
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
SMILESCC1O[C@H](CO)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C7H14O4/c1-4-7(2,10)6(9)5(3-8)11-4/h4-6,8-10H,3H2,1-2H3/t4?,5-,6-,7+/m1/s1
InChIKeyVBZAPPCKINAEQS-BPDFOOOXSA-N
XLogP-1.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 59796320
(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
CID 122450268
(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 88980068
2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol
CID 123565446
(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
CID 91029782
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-3,4-dimethyloxane-3,4,5-triol
CID 22887228
(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614
(2S,3S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,4,5-pentol
CID 134812037
(2S,4R,5R)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 131203511
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol
CID 175505706

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol?
The IUPAC name of (3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol (CID 58959143) is (3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol?
The canonical SMILES for (3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol is CC1O[C@H](CO)[C@@H](O)[C@@]1(C)O.
What is the InChIKey of (3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol?
The InChIKey is VBZAPPCKINAEQS-BPDFOOOXSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-7(2,10)6(9)5(3-8)11-4/h4-6,8-10H,3H2,1-2H3/t4?,5-,6-,7+/m1/s1.
What are the key properties of (3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol?
(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol has a molecular weight of 162.18 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol is sourced from PubChem (CID 58959143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).