(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol

C6H12O6 — CID 102312079

IUPAC(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
SMILESC[C@@]1(O)OC[C@@H](O)[C@@H](O)C1(O)O
InChIInChI=1S/C6H12O6/c1-5(9)6(10,11)4(8)3(7)2-12-5/h3-4,7-11H,2H2,1H3/t3-,4-,5-/m1/s1
InChIKeyYQXNAPYLDCFJNJ-UOWFLXDJSA-N
MW180.16 g/mol
LogP-2.87
Rot. Bonds

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

(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol (PubChem CID 102312079) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol.

Molecular Properties

Compound Name(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
PubChem CID102312079
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
SMILESC[C@@]1(O)OC[C@@H](O)[C@@H](O)C1(O)O
InChIInChI=1S/C6H12O6/c1-5(9)6(10,11)4(8)3(7)2-12-5/h3-4,7-11H,2H2,1H3/t3-,4-,5-/m1/s1
InChIKeyYQXNAPYLDCFJNJ-UOWFLXDJSA-N
XLogP-2.87
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-2.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol
CID 159526105
(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol
CID 102453556
8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol
CID 78173804
(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
CID 22887091
(2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one
CID 102312082
(4R,5S,6R)-2,7,8-trioxabicyclo[4.2.0]octane-1,4,5,6-tetrol
CID 141078298
(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
CID 58957406
(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 131019383
(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 158000416
(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812
(2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 130875054
(2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol
CID 87130889

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol?
The IUPAC name of (2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol (CID 102312079) is (2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol.
What is the SMILES notation for (2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol?
The canonical SMILES for (2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol is C[C@@]1(O)OC[C@@H](O)[C@@H](O)C1(O)O.
What is the InChIKey of (2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol?
The InChIKey is YQXNAPYLDCFJNJ-UOWFLXDJSA-N. The full InChI is InChI=1S/C6H12O6/c1-5(9)6(10,11)4(8)3(7)2-12-5/h3-4,7-11H,2H2,1H3/t3-,4-,5-/m1/s1.
What are the key properties of (2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol?
(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol has a molecular weight of 180.16 g/mol, XLogP of -2.87, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol is sourced from PubChem (CID 102312079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).