(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate

C6H14O6 — CID 135391148

IUPAC(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
SMILESC[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O.O
InChIInChI=1S/C6H12O5.H2O/c1-2-3(7)4(8)5(9)6(10)11-2;/h2-10H,1H3;1H2/t2-,3+,4-,5-,6?;/m1./s1
InChIKeyBNRKZHXOBMEUGK-OHXGPSCHSA-N
MW182.17 g/mol
LogP-3.02
Rot. Bonds

About (3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate

(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate (PubChem CID 135391148) has the molecular formula C6H14O6 and a molecular weight of 182.17 g/mol. Its IUPAC name is (3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate.

Molecular Properties

Compound Name(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
PubChem CID135391148
Molecular FormulaC6H14O6
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Name(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
SMILESC[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O.O
InChIInChI=1S/C6H12O5.H2O/c1-2-3(7)4(8)5(9)6(10)11-2;/h2-10H,1H3;1H2/t2-,3+,4-,5-,6?;/m1./s1
InChIKeyBNRKZHXOBMEUGK-OHXGPSCHSA-N
XLogP-3.02
TPSA121.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-3.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(2S,3R,4R,5R,6S)-2-methyl-6-[(2S,3R,4S,5R)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
CID 91854438
(2R,3R,4S,5R,6S)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-methyl-6-[(2R,3R,4R,5S,6R)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 163040774
2-[4,5-dihydroxy-2-methyl-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 146507394
6-methyl-1,3-dioxane-2,4,5-triol
CID 163702397
(3S,4R,5S,6S)-3-chloro-6-methyloxane-2,4,5-triol
CID 175716667

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate?
The IUPAC name of (3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate (CID 135391148) is (3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate.
What is the SMILES notation for (3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate?
The canonical SMILES for (3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate is C[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O.O.
What is the InChIKey of (3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate?
The InChIKey is BNRKZHXOBMEUGK-OHXGPSCHSA-N. The full InChI is InChI=1S/C6H12O5.H2O/c1-2-3(7)4(8)5(9)6(10)11-2;/h2-10H,1H3;1H2/t2-,3+,4-,5-,6?;/m1./s1.
What are the key properties of (3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate?
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate has a molecular weight of 182.17 g/mol, XLogP of -3.02, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate is sourced from PubChem (CID 135391148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).