(2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

C14H26O9 — CID 102203850

IUPAC(2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@@H](C[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H26O9/c1-21-14-13(20)11(18)7(9(4-15)23-14)2-6-3-8(17)12(19)10(5-16)22-6/h6-20H,2-5H2,1H3/t6-,7+,8+,9+,10+,11+,12-,13+,14-/m0/s1
InChIKeyCDAXGGCUKORJKY-ZRGPQNSJSA-N
MW338.35 g/mol
LogP-3.05
Rot. Bonds5

About (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

(2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (PubChem CID 102203850) has the molecular formula C14H26O9 and a molecular weight of 338.35 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
PubChem CID102203850
Molecular FormulaC14H26O9
Molecular Weight338.35 g/mol
Exact Mass338.16
IUPAC Name(2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@@H](C[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H26O9/c1-21-14-13(20)11(18)7(9(4-15)23-14)2-6-3-8(17)12(19)10(5-16)22-6/h6-20H,2-5H2,1H3/t6-,7+,8+,9+,10+,11+,12-,13+,14-/m0/s1
InChIKeyCDAXGGCUKORJKY-ZRGPQNSJSA-N
XLogP-3.05
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.35
LogP ≤ 5-3.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(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
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(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
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(2S,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 129120159

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (CID 102203850) is (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is CO[C@H]1O[C@H](CO)[C@@H](C[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The InChIKey is CDAXGGCUKORJKY-ZRGPQNSJSA-N. The full InChI is InChI=1S/C14H26O9/c1-21-14-13(20)11(18)7(9(4-15)23-14)2-6-3-8(17)12(19)10(5-16)22-6/h6-20H,2-5H2,1H3/t6-,7+,8+,9+,10+,11+,12-,13+,14-/m0/s1.
What are the key properties of (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
(2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol has a molecular weight of 338.35 g/mol, XLogP of -3.05, 5 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is sourced from PubChem (CID 102203850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).