(3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol

C7H12O5 — CID 134863566

IUPAC(3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol
SMILESOC[C@@H](O)C1OC=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12O5/c8-3-5(10)7-6(11)4(9)1-2-12-7/h1-2,4-11H,3H2/t4-,5-,6+,7?/m1/s1
InChIKeyDJCOJCIAJRTPBE-FTFTVQOISA-N
MW176.17 g/mol
LogP-2.03
Rot. Bonds2

About (3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol

(3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 134863566) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is (3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID134863566
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name(3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol
SMILESOC[C@@H](O)C1OC=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12O5/c8-3-5(10)7-6(11)4(9)1-2-12-7/h1-2,4-11H,3H2/t4-,5-,6+,7?/m1/s1
InChIKeyDJCOJCIAJRTPBE-FTFTVQOISA-N
XLogP-2.03
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

D-Galactal
CID 2734735
D-(+)-Glucal
CID 2734736
Lichenan
CID 439241
d-Glucal
CID 114633
2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 89465
1,5-Anhydro-D-Arabino-Hex-1-Enitol
CID 24885981
2,6-Anhydro-1-deoxygluco-hept-1-enitol
CID 188267
2,6-Anhydro-1-deoxygalacto-hept-1-enitol
CID 70004438
(3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 59658630
(2R,3S,4S)-2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol
CID 71296034
(2S,3R,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 10510978
(3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 58120730

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol (CID 134863566) is (3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol is OC[C@@H](O)C1OC=C[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is DJCOJCIAJRTPBE-FTFTVQOISA-N. The full InChI is InChI=1S/C7H12O5/c8-3-5(10)7-6(11)4(9)1-2-12-7/h1-2,4-11H,3H2/t4-,5-,6+,7?/m1/s1.
What are the key properties of (3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol?
(3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 176.17 g/mol, XLogP of -2.03, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 134863566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).