(2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid

C10H18O10 — CID 90943270

IUPAC(2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid
SMILESO=C(O)[C@@](O)(C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIInChI=1S/C10H18O10/c11-1-3-5(14)6(15)7(16)8(20-3)10(19,9(17)18)4(13)2-12/h3-8,11-16,19H,1-2H2,(H,17,18)/t3-,4-,5+,6+,7-,8?,10+/m1/s1
InChIKeyHXMKAFNWPWINEE-XKVBSPQMSA-N
MW298.24 g/mol
LogP-5.00
Rot. Bonds5

About (2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid

(2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid (PubChem CID 90943270) has the molecular formula C10H18O10 and a molecular weight of 298.24 g/mol. Its IUPAC name is (2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid
PubChem CID90943270
Molecular FormulaC10H18O10
Molecular Weight298.24 g/mol
Exact Mass298.09
IUPAC Name(2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid
SMILESO=C(O)[C@@](O)(C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIInChI=1S/C10H18O10/c11-1-3-5(14)6(15)7(16)8(20-3)10(19,9(17)18)4(13)2-12/h3-8,11-16,19H,1-2H2,(H,17,18)/t3-,4-,5+,6+,7-,8?,10+/m1/s1
InChIKeyHXMKAFNWPWINEE-XKVBSPQMSA-N
XLogP-5.00
TPSA188.14 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.24
LogP ≤ 5-5.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

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

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Related Compounds

(2S,4S,5R,6R)-5-acetyl-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 25162920
Botcinin H
CID 11529345
3,6-bis(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione
CID 129628330
Ethyl 2-hydroxy-2-[6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]acetate
CID 15691044
Xylariolide B
CID 46832766
Xylariolide C
CID 46832767
6-Deoxy-8,17-dihydroxyerythronolide B
CID 139588485
methyl (3S,5S)-5-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoate
CID 162954139
Scleroketide B
CID 170990578
Erythronolide A
CID 3082261
2-(Oxan-2-yl)oxolane-2-carboxylic acid
CID 132372848
4-beta-Glucosylmannose
CID 10042984

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid?
The IUPAC name of (2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid (CID 90943270) is (2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid.
What is the SMILES notation for (2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid?
The canonical SMILES for (2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid is O=C(O)[C@@](O)(C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.
What is the InChIKey of (2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid?
The InChIKey is HXMKAFNWPWINEE-XKVBSPQMSA-N. The full InChI is InChI=1S/C10H18O10/c11-1-3-5(14)6(15)7(16)8(20-3)10(19,9(17)18)4(13)2-12/h3-8,11-16,19H,1-2H2,(H,17,18)/t3-,4-,5+,6+,7-,8?,10+/m1/s1.
What are the key properties of (2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid?
(2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid has a molecular weight of 298.24 g/mol, XLogP of -5.00, 5 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3,4-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid is sourced from PubChem (CID 90943270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).