(2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol

C7H14O6 — CID 130762419

IUPAC(2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol
SMILESOC[C@@H](O)[C@H]1O[C@H](O)[C@H](O)C[C@H]1O
InChIInChI=1S/C7H14O6/c8-2-5(11)6-3(9)1-4(10)7(12)13-6/h3-12H,1-2H2/t3-,4-,5-,6+,7+/m1/s1
InChIKeyVQXSPKHOCOEKSJ-OVHBTUCOSA-N
MW194.18 g/mol
LogP-2.83
Rot. Bonds2

About (2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol

(2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol (PubChem CID 130762419) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol.

Molecular Properties

Compound Name(2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol
PubChem CID130762419
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol
SMILESOC[C@@H](O)[C@H]1O[C@H](O)[C@H](O)C[C@H]1O
InChIInChI=1S/C7H14O6/c8-2-5(11)6-3(9)1-4(10)7(12)13-6/h3-12H,1-2H2/t3-,4-,5-,6+,7+/m1/s1
InChIKeyVQXSPKHOCOEKSJ-OVHBTUCOSA-N
XLogP-2.83
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3-diol
CID 101290230
1-[(2R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89270965
1-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89365371
(2S,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,4-diol;(2S,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2R,3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;bis((2R,4R,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol);bis((2S,4R,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol)
CID 161430292
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol?
The IUPAC name of (2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol (CID 130762419) is (2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol.
What is the SMILES notation for (2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol?
The canonical SMILES for (2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol is OC[C@@H](O)[C@H]1O[C@H](O)[C@H](O)C[C@H]1O.
What is the InChIKey of (2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol?
The InChIKey is VQXSPKHOCOEKSJ-OVHBTUCOSA-N. The full InChI is InChI=1S/C7H14O6/c8-2-5(11)6-3(9)1-4(10)7(12)13-6/h3-12H,1-2H2/t3-,4-,5-,6+,7+/m1/s1.
What are the key properties of (2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol?
(2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol has a molecular weight of 194.18 g/mol, XLogP of -2.83, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,5-triol is sourced from PubChem (CID 130762419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).