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

C7H14O5 — CID 89126966

IUPAC(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
SMILESC[C@@H]1OC(CO)[C@H](O)[C@@H](O)C1O
InChIInChI=1S/C7H14O5/c1-3-5(9)7(11)6(10)4(2-8)12-3/h3-11H,2H2,1H3/t3-,4?,5?,6-,7-/m0/s1
InChIKeyVUWMDLRKEQUSPZ-DEDOYCFFSA-N
MW178.18 g/mol
LogP-2.15
Rot. Bonds1

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

(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol (PubChem CID 89126966) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
PubChem CID89126966
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
SMILESC[C@@H]1OC(CO)[C@H](O)[C@@H](O)C1O
InChIInChI=1S/C7H14O5/c1-3-5(9)7(11)6(10)4(2-8)12-3/h3-11H,2H2,1H3/t3-,4?,5?,6-,7-/m0/s1
InChIKeyVUWMDLRKEQUSPZ-DEDOYCFFSA-N
XLogP-2.15
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 18666984
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?
The IUPAC name of (3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol (CID 89126966) is (3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?
The canonical SMILES for (3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol is C[C@@H]1OC(CO)[C@H](O)[C@@H](O)C1O.
What is the InChIKey of (3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?
The InChIKey is VUWMDLRKEQUSPZ-DEDOYCFFSA-N. The full InChI is InChI=1S/C7H14O5/c1-3-5(9)7(11)6(10)4(2-8)12-3/h3-11H,2H2,1H3/t3-,4?,5?,6-,7-/m0/s1.
What are the key properties of (3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol has a molecular weight of 178.18 g/mol, XLogP of -2.15, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 89126966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).