(3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol

C7H12O6 — CID 163663833

IUPAC(3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol
SMILESOC[C@@H](O)C1OC=C(O)C(O)[C@@H]1O
InChIInChI=1S/C7H12O6/c8-1-3(9)7-6(12)5(11)4(10)2-13-7/h2-3,5-12H,1H2/t3-,5?,6+,7?/m1/s1
InChIKeyIWQVLHZARBZEAX-FWOCAULESA-N
MW192.17 g/mol
LogP-2.14
Rot. Bonds2

About (3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol

(3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol (PubChem CID 163663833) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is (3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol.

Molecular Properties

Compound Name(3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol
PubChem CID163663833
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name(3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol
SMILESOC[C@@H](O)C1OC=C(O)C(O)[C@@H]1O
InChIInChI=1S/C7H12O6/c8-1-3(9)7-6(12)5(11)4(10)2-13-7/h2-3,5-12H,1H2/t3-,5?,6+,7?/m1/s1
InChIKeyIWQVLHZARBZEAX-FWOCAULESA-N
XLogP-2.14
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol?
The IUPAC name of (3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol (CID 163663833) is (3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol.
What is the SMILES notation for (3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol?
The canonical SMILES for (3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol is OC[C@@H](O)C1OC=C(O)C(O)[C@@H]1O.
What is the InChIKey of (3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol?
The InChIKey is IWQVLHZARBZEAX-FWOCAULESA-N. The full InChI is InChI=1S/C7H12O6/c8-1-3(9)7-6(12)5(11)4(10)2-13-7/h2-3,5-12H,1H2/t3-,5?,6+,7?/m1/s1.
What are the key properties of (3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol?
(3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol has a molecular weight of 192.17 g/mol, XLogP of -2.14, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydro-2H-pyran-3,4,5-triol is sourced from PubChem (CID 163663833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).