(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol

C6H12O5 — CID 102453556

IUPAC(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol
SMILESCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6?/m1/s1
InChIKeyYLWWLYACYNLGLT-OEXCPVAWSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds

About (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol

(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol (PubChem CID 102453556) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol
PubChem CID102453556
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol
SMILESCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6?/m1/s1
InChIKeyYLWWLYACYNLGLT-OEXCPVAWSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812
4-oxaspiro[2.5]octane-6,7,8-triol
CID 123215793
(3S,4R,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CID 90472720
(2S,3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971021
(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71751872
(4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 22814148
(3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid
CID 10313506
(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 56657680
(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol
CID 45357378
(2S,3S,4R,5S)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol
CID 78226014
(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
CID 102312079
5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol
CID 72781233

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol (CID 102453556) is (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol is CC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol?
The InChIKey is YLWWLYACYNLGLT-OEXCPVAWSA-N. The full InChI is InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6?/m1/s1.
What are the key properties of (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol?
(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 102453556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).