(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol

C13H24O11 — CID 57234953

IUPAC(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](CO)[C@@](O)([C@@]2(O)CO[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C13H24O11/c1-22-11-8(17)10(19)13(21,6(3-15)24-11)12(20)4-23-5(2-14)7(16)9(12)18/h5-11,14-21H,2-4H2,1H3/t5-,6-,7+,8-,9+,10-,11+,12-,13+/m1/s1
InChIKeyPBHGUIZKKFWYGN-XIBJMIMQSA-N
MW356.32 g/mol
LogP-5.35
Rot. Bonds4

About (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol

(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol (PubChem CID 57234953) has the molecular formula C13H24O11 and a molecular weight of 356.32 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol
PubChem CID57234953
Molecular FormulaC13H24O11
Molecular Weight356.32 g/mol
Exact Mass356.13
IUPAC Name(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](CO)[C@@](O)([C@@]2(O)CO[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C13H24O11/c1-22-11-8(17)10(19)13(21,6(3-15)24-11)12(20)4-23-5(2-14)7(16)9(12)18/h5-11,14-21H,2-4H2,1H3/t5-,6-,7+,8-,9+,10-,11+,12-,13+/m1/s1
InChIKeyPBHGUIZKKFWYGN-XIBJMIMQSA-N
XLogP-5.35
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500356.32
LogP ≤ 5-5.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3S,4S,5S,6R)-6-(aminomethyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-2,3,4,5-tetrol
CID 57018621
(2S,3S,4S,5S,6R)-3-[(3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57269400
(2S,3S,4S,5S,6S)-6-[chloro(hydroxy)methyl]-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-2,3,4,5-tetrol
CID 57010952
N-[(2S,3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxan-3-yl]acetamide
CID 57018158
(4R,5S)-6-(hydroxymethyl)oxane-3,3,4,5-tetrol
CID 59927511
methyl (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-3-carboxylate
CID 91074786
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(3aR,8R)-7-(hydroxymethyl)-5-methoxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepine-4,8-diol
CID 71171830
(2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 57076968

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol (CID 57234953) is (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol is CO[C@H]1O[C@H](CO)[C@@](O)([C@@]2(O)CO[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol?
The InChIKey is PBHGUIZKKFWYGN-XIBJMIMQSA-N. The full InChI is InChI=1S/C13H24O11/c1-22-11-8(17)10(19)13(21,6(3-15)24-11)12(20)4-23-5(2-14)7(16)9(12)18/h5-11,14-21H,2-4H2,1H3/t5-,6-,7+,8-,9+,10-,11+,12-,13+/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol?
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol has a molecular weight of 356.32 g/mol, XLogP of -5.35, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol is sourced from PubChem (CID 57234953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).