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

C7H14O7 — CID 46782101

IUPAC(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOCC1OC(O)(CO)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3?,4-,5-,6?,7?/m1/s1
InChIKeyHAIWUXASLYEWLM-AHCVODQZSA-N
MW210.18 g/mol
LogP-3.86
Rot. Bonds2

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

(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 46782101) has the molecular formula C7H14O7 and a molecular weight of 210.18 g/mol. Its IUPAC name is (4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID46782101
Molecular FormulaC7H14O7
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Name(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOCC1OC(O)(CO)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3?,4-,5-,6?,7?/m1/s1
InChIKeyHAIWUXASLYEWLM-AHCVODQZSA-N
XLogP-3.86
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 ≤ 5-3.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 70436487
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70152733
2-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetaldehyde
CID 146188927
(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-ynyloxane-2,3,4,5-tetrol
CID 141415299
sodium;hydride;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(2-phosphanylethyl)oxane-2,3,4,5-tetrol
CID 175032587
(3R,4S,5S,6R)-2-(2-chloro-2-deuterioethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141175486
(2S,3R,4S,5S,6R)-2-butyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 152616665
(2S,3S,4S,5S)-5-(chloromethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 131187722
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol
CID 131086029

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 46782101) is (4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol is OCC1OC(O)(CO)C(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is HAIWUXASLYEWLM-AHCVODQZSA-N. The full InChI is InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3?,4-,5-,6?,7?/m1/s1.
What are the key properties of (4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol?
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 210.18 g/mol, XLogP of -3.86, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 46782101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).