(2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol

C12H22O10 — CID 57168192

IUPAC(2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol
SMILESOC1CO[C@H](C(O)C(O)[C@H]2OCC(O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O10/c13-3-1-21-11(7(17)5(3)15)9(19)10(20)12-8(18)6(16)4(14)2-22-12/h3-20H,1-2H2/t3?,4?,5-,6-,7+,8+,9?,10?,11+,12+/m1/s1
InChIKeyMUVIWHIAFQGKIS-USASYHOTSA-N
MW326.30 g/mol
LogP-5.33
Rot. Bonds3

About (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol

(2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol (PubChem CID 57168192) has the molecular formula C12H22O10 and a molecular weight of 326.30 g/mol. Its IUPAC name is (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol
PubChem CID57168192
Molecular FormulaC12H22O10
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Name(2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol
SMILESOC1CO[C@H](C(O)C(O)[C@H]2OCC(O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O10/c13-3-1-21-11(7(17)5(3)15)9(19)10(20)12-8(18)6(16)4(14)2-22-12/h3-20H,1-2H2/t3?,4?,5-,6-,7+,8+,9?,10?,11+,12+/m1/s1
InChIKeyMUVIWHIAFQGKIS-USASYHOTSA-N
XLogP-5.33
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.30
LogP ≤ 5-5.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3R,4R,5S)-2-[chloro(hydroxy)methyl]oxane-3,4,5-triol
CID 54301911
(3S)-2-[(1R)-1,2-dihydroxyethyl]oxane-3,4,5-triol
CID 67951819
(2S,3R,4S)-2-[(1R)-1-hydroxyethyl]oxolane-3,4-diol
CID 18667402
(2R,3S,4R)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
CID 162949873
(2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
CID 20835708
sodium 2-hydroxy-2-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetate
CID 153429784
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
(2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 159612670
(2S,3S,4R)-2-[(1R)-2,2-bis(ethylsulfanyl)-1-hydroxyethyl]oxolane-3,4-diol
CID 100996895
4-hydroxy-3-oxo-4-[(2S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]butanoic acid
CID 174050494
2-(1-hydroxybutyl)oxolane-3,4-diol
CID 123496613
2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol
CID 21353691

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol (CID 57168192) is (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol is OC1CO[C@H](C(O)C(O)[C@H]2OCC(O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol?
The InChIKey is MUVIWHIAFQGKIS-USASYHOTSA-N. The full InChI is InChI=1S/C12H22O10/c13-3-1-21-11(7(17)5(3)15)9(19)10(20)12-8(18)6(16)4(14)2-22-12/h3-20H,1-2H2/t3?,4?,5-,6-,7+,8+,9?,10?,11+,12+/m1/s1.
What are the key properties of (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol?
(2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol has a molecular weight of 326.30 g/mol, XLogP of -5.33, 3 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol is sourced from PubChem (CID 57168192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).