(2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol

C13H24O11 — CID 102354559

IUPAC(2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@]2(CO)OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C13H24O11/c1-21-12-9(19)10(8(18)6(2-14)23-12)24-13(4-15)11(20)7(17)5(16)3-22-13/h5-12,14-20H,2-4H2,1H3/t5-,6+,7-,8+,9+,10-,11+,12+,13-/m0/s1
InChIKeyNOUXICQRONGKJF-FYKMFITLSA-N
MW356.32 g/mol
LogP-4.74
Rot. Bonds5

About (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 102354559) has the molecular formula C13H24O11 and a molecular weight of 356.32 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID102354559
Molecular FormulaC13H24O11
Molecular Weight356.32 g/mol
Exact Mass356.13
IUPAC Name(2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@]2(CO)OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C13H24O11/c1-21-12-9(19)10(8(18)6(2-14)23-12)24-13(4-15)11(20)7(17)5(16)3-22-13/h5-12,14-20H,2-4H2,1H3/t5-,6+,7-,8+,9+,10-,11+,12+,13-/m0/s1
InChIKeyNOUXICQRONGKJF-FYKMFITLSA-N
XLogP-4.74
TPSA178.53 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500356.32
LogP ≤ 5-4.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 10154424
(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 101231917
3-[[(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-3,4,5-trihydroxy-6-methyloxan-2-yl]methylamino]-3-oxopropanoic acid
CID 11134210
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 10379133
(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,3S,4S,5R,6S)-4-(2-aminoethoxy)-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 67674380
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 54407177
(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 11608251
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134402876

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol (CID 102354559) is (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol is CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@]2(CO)OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is NOUXICQRONGKJF-FYKMFITLSA-N. The full InChI is InChI=1S/C13H24O11/c1-21-12-9(19)10(8(18)6(2-14)23-12)24-13(4-15)11(20)7(17)5(16)3-22-13/h5-12,14-20H,2-4H2,1H3/t5-,6+,7-,8+,9+,10-,11+,12+,13-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 356.32 g/mol, XLogP of -4.74, 5 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 102354559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).