(2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol

C7H12O4 — CID 89096890

IUPAC(2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol
SMILESCC[C@@H]1OC=C(O)C(O)C1O
InChIInChI=1S/C7H12O4/c1-2-5-7(10)6(9)4(8)3-11-5/h3,5-10H,2H2,1H3/t5-,6?,7?/m0/s1
InChIKeyOUYNEJLRSNMXDU-VTSJMVTISA-N
MW160.17 g/mol
LogP-0.08
Rot. Bonds1

About (2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol

(2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol (PubChem CID 89096890) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol.

Molecular Properties

Compound Name(2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol
PubChem CID89096890
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol
SMILESCC[C@@H]1OC=C(O)C(O)C1O
InChIInChI=1S/C7H12O4/c1-2-5-7(10)6(9)4(8)3-11-5/h3,5-10H,2H2,1H3/t5-,6?,7?/m0/s1
InChIKeyOUYNEJLRSNMXDU-VTSJMVTISA-N
XLogP-0.08
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol?
The IUPAC name of (2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol (CID 89096890) is (2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol.
What is the SMILES notation for (2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol?
The canonical SMILES for (2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol is CC[C@@H]1OC=C(O)C(O)C1O.
What is the InChIKey of (2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol?
The InChIKey is OUYNEJLRSNMXDU-VTSJMVTISA-N. The full InChI is InChI=1S/C7H12O4/c1-2-5-7(10)6(9)4(8)3-11-5/h3,5-10H,2H2,1H3/t5-,6?,7?/m0/s1.
What are the key properties of (2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol?
(2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol has a molecular weight of 160.17 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol is sourced from PubChem (CID 89096890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).