(2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol

C7H14O7 — CID 57122602

IUPAC(2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol
SMILESC[C@]1(CO)O[C@H](O)[C@H](O)C(O)(O)[C@H]1O
InChIInChI=1S/C7H14O7/c1-6(2-8)5(11)7(12,13)3(9)4(10)14-6/h3-5,8-13H,2H2,1H3/t3-,4-,5-,6+/m0/s1
InChIKeyHLVDDIHXYGELMY-OMMKOOBNSA-N
MW210.18 g/mol
LogP-3.51
Rot. Bonds1

About (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol

(2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol (PubChem CID 57122602) has the molecular formula C7H14O7 and a molecular weight of 210.18 g/mol. Its IUPAC name is (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol.

Molecular Properties

Compound Name(2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol
PubChem CID57122602
Molecular FormulaC7H14O7
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Name(2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol
SMILESC[C@]1(CO)O[C@H](O)[C@H](O)C(O)(O)[C@H]1O
InChIInChI=1S/C7H14O7/c1-6(2-8)5(11)7(12,13)3(9)4(10)14-6/h3-5,8-13H,2H2,1H3/t3-,4-,5-,6+/m0/s1
InChIKeyHLVDDIHXYGELMY-OMMKOOBNSA-N
XLogP-3.51
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.18
LogP ≤ 5-3.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol 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

CID 58682563
CID 58682563
(3S,4R,5S)-4-bromo-5-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
CID 101084136
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 70151145
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol
CID 139891188
3,5-bis(hydroxymethyl)-3,5-dimethyloxan-4-ol
CID 154094053
2,4-dimethyloxetane-2,3-diol
CID 142770026
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
(2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol
CID 70927884
(2S,3S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,4,5-pentol
CID 134812037

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol?
The IUPAC name of (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol (CID 57122602) is (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol.
What is the SMILES notation for (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol?
The canonical SMILES for (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol is C[C@]1(CO)O[C@H](O)[C@H](O)C(O)(O)[C@H]1O.
What is the InChIKey of (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol?
The InChIKey is HLVDDIHXYGELMY-OMMKOOBNSA-N. The full InChI is InChI=1S/C7H14O7/c1-6(2-8)5(11)7(12,13)3(9)4(10)14-6/h3-5,8-13H,2H2,1H3/t3-,4-,5-,6+/m0/s1.
What are the key properties of (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol?
(2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol has a molecular weight of 210.18 g/mol, XLogP of -3.51, 1 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol is sourced from PubChem (CID 57122602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).