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

C7H14O6 — CID 101100889

IUPAC(3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
SMILESOCC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c8-2-1-3-4(9)5(10)6(11)7(12)13-3/h3-12H,1-2H2/t3-,4+,5+,6+,7?/m0/s1
InChIKeyDZVQUXRVCGLPJK-HZYAIORGSA-N
MW194.18 g/mol
LogP-2.83
Rot. Bonds2

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

(3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol (PubChem CID 101100889) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
PubChem CID101100889
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
SMILESOCC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c8-2-1-3-4(9)5(10)6(11)7(12)13-3/h3-12H,1-2H2/t3-,4+,5+,6+,7?/m0/s1
InChIKeyDZVQUXRVCGLPJK-HZYAIORGSA-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

(2S,3R,4S,5S,6R)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 90256488
(3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol
CID 11829769
6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 85179577
(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

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol (CID 101100889) is (3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol is OCC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol?
The InChIKey is DZVQUXRVCGLPJK-HZYAIORGSA-N. The full InChI is InChI=1S/C7H14O6/c8-2-1-3-4(9)5(10)6(11)7(12)13-3/h3-12H,1-2H2/t3-,4+,5+,6+,7?/m0/s1.
What are the key properties of (3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol?
(3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol 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 (3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 101100889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).