(2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol

C7H14O7 — CID 97302383

IUPAC(2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
SMILESOC(O)C[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O7/c8-3(9)1-2-4(10)5(11)6(12)7(13)14-2/h2-13H,1H2/t2-,4-,5+,6+,7-/m1/s1
InChIKeyMMUIOVYLIXVANV-ZLVJYMQZSA-N
MW210.18 g/mol
LogP-3.51
Rot. Bonds2

About (2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol

(2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol (PubChem CID 97302383) has the molecular formula C7H14O7 and a molecular weight of 210.18 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
PubChem CID97302383
Molecular FormulaC7H14O7
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Name(2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
SMILESOC(O)C[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O7/c8-3(9)1-2-4(10)5(11)6(12)7(13)14-2/h2-13H,1H2/t2-,4-,5+,6+,7-/m1/s1
InChIKeyMMUIOVYLIXVANV-ZLVJYMQZSA-N
XLogP-3.51
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.18
LogP ≤ 5-3.51
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

trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium
CID 101185586
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol (CID 97302383) is (2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol is OC(O)C[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol?
The InChIKey is MMUIOVYLIXVANV-ZLVJYMQZSA-N. The full InChI is InChI=1S/C7H14O7/c8-3(9)1-2-4(10)5(11)6(12)7(13)14-2/h2-13H,1H2/t2-,4-,5+,6+,7-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol?
(2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol has a molecular weight of 210.18 g/mol, XLogP of -3.51, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 97302383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).