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

C12H24O10 — CID 129314639

IUPAC(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
SMILESC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O.C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/2C6H12O5/c2*1-2-3(7)4(8)5(9)6(10)11-2/h2*2-10H,1H3/t2-,3+,4+,5-,6+;2-,3+,4+,5-,6-/m01/s1
InChIKeyQVAYSKZTDXZMSM-VDLMAIQDSA-N
MW328.31 g/mol
LogP-4.39
Rot. Bonds

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

(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol (PubChem CID 129314639) has the molecular formula C12H24O10 and a molecular weight of 328.31 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
PubChem CID129314639
Molecular FormulaC12H24O10
Molecular Weight328.31 g/mol
Exact Mass328.14
IUPAC Name(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
SMILESC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O.C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/2C6H12O5/c2*1-2-3(7)4(8)5(9)6(10)11-2/h2*2-10H,1H3/t2-,3+,4+,5-,6+;2-,3+,4+,5-,6-/m01/s1
InChIKeyQVAYSKZTDXZMSM-VDLMAIQDSA-N
XLogP-4.39
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.31
LogP ≤ 5-4.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
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
(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 (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol?
The IUPAC name of (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) is (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol is C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O.C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol?
The InChIKey is QVAYSKZTDXZMSM-VDLMAIQDSA-N. The full InChI is InChI=1S/2C6H12O5/c2*1-2-3(7)4(8)5(9)6(10)11-2/h2*2-10H,1H3/t2-,3+,4+,5-,6+;2-,3+,4+,5-,6-/m01/s1.
What are the key properties of (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol?
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol has a molecular weight of 328.31 g/mol, XLogP of -4.39, 0 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 129314639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).