(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol

C6H12O5 — CID 101369112

IUPAC(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
SMILESC[C@@H]1O[13CH](O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1/i6+1
InChIKeySHZGCJCMOBCMKK-BQEVNJAQSA-N
MW165.15 g/mol
LogP-2.19
Rot. Bonds

About (3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol

(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol (PubChem CID 101369112) has the molecular formula C6H12O5 and a molecular weight of 165.15 g/mol. Its IUPAC name is (3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
PubChem CID101369112
Molecular FormulaC6H12O5
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Name(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
SMILESC[C@@H]1O[13CH](O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1/i6+1
InChIKeySHZGCJCMOBCMKK-BQEVNJAQSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(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,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(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
(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
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
(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
CID 167601278

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol (CID 101369112) is (3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol is C[C@@H]1O[13CH](O)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol?
The InChIKey is SHZGCJCMOBCMKK-BQEVNJAQSA-N. The full InChI is InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1/i6+1.
What are the key properties of (3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol?
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol has a molecular weight of 165.15 g/mol, XLogP of -2.19, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 101369112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).