(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one

C6H10O5 — CID 22887091

IUPAC(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
SMILESC[C@]1(O)C(=O)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O5/c1-6(10)4(8)3(7)2-11-5(6)9/h3-4,7-8,10H,2H2,1H3/t3-,4-,6-/m1/s1
InChIKeySTVGZSLXQWAQFZ-ZMIZWQJLSA-N
MW162.14 g/mol
LogP-1.98
Rot. Bonds

About (3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one

(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one (PubChem CID 22887091) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
PubChem CID22887091
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
SMILESC[C@]1(O)C(=O)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O5/c1-6(10)4(8)3(7)2-11-5(6)9/h3-4,7-8,10H,2H2,1H3/t3-,4-,6-/m1/s1
InChIKeySTVGZSLXQWAQFZ-ZMIZWQJLSA-N
XLogP-1.98
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
CID 10997077
(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
CID 58957406
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
(3aS,7R,7aS)-7-hydroxy-2,2,7-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-one
CID 102026058
3,4-dihydroxy-3,5-dimethyloxolan-2-one
CID 130144854
(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
CID 102312079
(3S,4R,5S,6R)-3-acetyl-3-amino-4,5,6-trihydroxyoxepan-2-one
CID 66683734
(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 58701530
(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 11513798
(2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one
CID 102312082
3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one
CID 18596296
4-amino-3,3-dimethyloxolan-2-one
CID 59657819

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one?
The IUPAC name of (3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one (CID 22887091) is (3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one.
What is the SMILES notation for (3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one?
The canonical SMILES for (3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one is C[C@]1(O)C(=O)OC[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one?
The InChIKey is STVGZSLXQWAQFZ-ZMIZWQJLSA-N. The full InChI is InChI=1S/C6H10O5/c1-6(10)4(8)3(7)2-11-5(6)9/h3-4,7-8,10H,2H2,1H3/t3-,4-,6-/m1/s1.
What are the key properties of (3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one?
(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one has a molecular weight of 162.14 g/mol, XLogP of -1.98, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one is sourced from PubChem (CID 22887091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).