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

C6H12O6 — CID 129203156

IUPAC(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
SMILESCC1OC(O)(O)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C6H12O6/c1-2-3(7)4(8)5(9)6(10,11)12-2/h2-5,7-11H,1H3/t2?,3-,4?,5+/m1/s1
InChIKeyFTASEZNPRCSEAW-GCIZSJRBSA-N
MW180.16 g/mol
LogP-2.87
Rot. Bonds

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

(3S,5S)-6-methyloxane-2,2,3,4,5-pentol (PubChem CID 129203156) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (3S,5S)-6-methyloxane-2,2,3,4,5-pentol.

Molecular Properties

Compound Name(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
PubChem CID129203156
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
SMILESCC1OC(O)(O)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C6H12O6/c1-2-3(7)4(8)5(9)6(10,11)12-2/h2-5,7-11H,1H3/t2?,3-,4?,5+/m1/s1
InChIKeyFTASEZNPRCSEAW-GCIZSJRBSA-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

(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid
CID 166133374
(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol
CID 145429784
(2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol
CID 90974645
[fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium
CID 102592891
(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
CID 70800080
(2R,3S,4R,5S,6S)-2-ethoxy-6-methyl-2-sulfanyloxane-3,4,5-triol
CID 174689500
(2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol
CID 102592889
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
CID 163961181
2,4-dimethyloxetane-2,3-diol
CID 142770026
(3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 88976557
3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-sulfanyloxan-2-yl]propanoic acid
CID 22850435
1-[(3S,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-methyloxan-2-yl]ethanone
CID 175945022

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-6-methyloxane-2,2,3,4,5-pentol?
The IUPAC name of (3S,5S)-6-methyloxane-2,2,3,4,5-pentol (CID 129203156) is (3S,5S)-6-methyloxane-2,2,3,4,5-pentol.
What is the SMILES notation for (3S,5S)-6-methyloxane-2,2,3,4,5-pentol?
The canonical SMILES for (3S,5S)-6-methyloxane-2,2,3,4,5-pentol is CC1OC(O)(O)[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of (3S,5S)-6-methyloxane-2,2,3,4,5-pentol?
The InChIKey is FTASEZNPRCSEAW-GCIZSJRBSA-N. The full InChI is InChI=1S/C6H12O6/c1-2-3(7)4(8)5(9)6(10,11)12-2/h2-5,7-11H,1H3/t2?,3-,4?,5+/m1/s1.
What are the key properties of (3S,5S)-6-methyloxane-2,2,3,4,5-pentol?
(3S,5S)-6-methyloxane-2,2,3,4,5-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 (3S,5S)-6-methyloxane-2,2,3,4,5-pentol is sourced from PubChem (CID 129203156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).