(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol

C24H48O15 — CID 162222185

IUPAC(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@@H](C)[C@H](O)[C@H]1O.CO[C@H]1O[C@H](CO)[C@@H](C)[C@H](O)[C@H]1O.CO[C@H]1O[C@H](CO)[C@@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/3C8H16O5/c3*1-4-5(3-9)13-8(12-2)7(11)6(4)10/h3*4-11H,3H2,1-2H3/t3*4-,5-,6+,7-,8+/m111/s1
InChIKeyZUGRWZCBGDFNQB-XKCKQQPGSA-N
MW576.63 g/mol
LogP-3.88
Rot. Bonds6

About (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol

(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol (PubChem CID 162222185) has the molecular formula C24H48O15 and a molecular weight of 576.63 g/mol. Its IUPAC name is (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
PubChem CID162222185
Molecular FormulaC24H48O15
Molecular Weight576.63 g/mol
Exact Mass576.30
IUPAC Name(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@@H](C)[C@H](O)[C@H]1O.CO[C@H]1O[C@H](CO)[C@@H](C)[C@H](O)[C@H]1O.CO[C@H]1O[C@H](CO)[C@@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/3C8H16O5/c3*1-4-5(3-9)13-8(12-2)7(11)6(4)10/h3*4-11H,3H2,1-2H3/t3*4-,5-,6+,7-,8+/m111/s1
InChIKeyZUGRWZCBGDFNQB-XKCKQQPGSA-N
XLogP-3.88
TPSA237.45 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500576.63
LogP ≤ 5-3.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol with MolForge

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Related Compounds

(2S,3S,5S)-2-[(2S,3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 131971000
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(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,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol?
The IUPAC name of (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol (CID 162222185) is (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol is CO[C@H]1O[C@H](CO)[C@@H](C)[C@H](O)[C@H]1O.CO[C@H]1O[C@H](CO)[C@@H](C)[C@H](O)[C@H]1O.CO[C@H]1O[C@H](CO)[C@@H](C)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol?
The InChIKey is ZUGRWZCBGDFNQB-XKCKQQPGSA-N. The full InChI is InChI=1S/3C8H16O5/c3*1-4-5(3-9)13-8(12-2)7(11)6(4)10/h3*4-11H,3H2,1-2H3/t3*4-,5-,6+,7-,8+/m111/s1.
What are the key properties of (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol?
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol has a molecular weight of 576.63 g/mol, XLogP of -3.88, 6 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol is sourced from PubChem (CID 162222185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).