(2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol

C6H12O7 — CID 130917800

IUPAC(2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol
SMILESOC[C@@H](O)[C@H]1O[C@@H](O)C(O)(O)[C@@H]1O
InChIInChI=1S/C6H12O7/c7-1-2(8)3-4(9)6(11,12)5(10)13-3/h2-5,7-12H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyMHKFREPBYVEACA-TXICZTDVSA-N
MW196.15 g/mol
LogP-3.90
Rot. Bonds2

About (2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol

(2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol (PubChem CID 130917800) has the molecular formula C6H12O7 and a molecular weight of 196.15 g/mol. Its IUPAC name is (2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol.

Molecular Properties

Compound Name(2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol
PubChem CID130917800
Molecular FormulaC6H12O7
Molecular Weight196.15 g/mol
Exact Mass196.06
IUPAC Name(2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol
SMILESOC[C@@H](O)[C@H]1O[C@@H](O)C(O)(O)[C@@H]1O
InChIInChI=1S/C6H12O7/c7-1-2(8)3-4(9)6(11,12)5(10)13-3/h2-5,7-12H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyMHKFREPBYVEACA-TXICZTDVSA-N
XLogP-3.90
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.15
LogP ≤ 5-3.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 161397245
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 118332800
(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
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(2S,3R,4R,5S)-2-azido-5-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 130762384
6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol?
The IUPAC name of (2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol (CID 130917800) is (2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol.
What is the SMILES notation for (2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol?
The canonical SMILES for (2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol is OC[C@@H](O)[C@H]1O[C@@H](O)C(O)(O)[C@@H]1O.
What is the InChIKey of (2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol?
The InChIKey is MHKFREPBYVEACA-TXICZTDVSA-N. The full InChI is InChI=1S/C6H12O7/c7-1-2(8)3-4(9)6(11,12)5(10)13-3/h2-5,7-12H,1H2/t2-,3-,4-,5-/m1/s1.
What are the key properties of (2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol?
(2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol has a molecular weight of 196.15 g/mol, XLogP of -3.90, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol is sourced from PubChem (CID 130917800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).