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

C12H24O6 — CID 57069557

IUPAC(2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol
SMILESCCCCCCOC[C@]1(O)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H24O6/c1-2-3-4-5-6-17-8-12(16)11(15)10(14)9(13)7-18-12/h9-11,13-16H,2-8H2,1H3/t9-,10+,11-,12+/m1/s1
InChIKeyWZOJDUJJOGDPRS-KXNHARMFSA-N
MW264.32 g/mol
LogP-0.62
Rot. Bonds7

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

(2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 57069557) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol
PubChem CID57069557
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name(2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol
SMILESCCCCCCOC[C@]1(O)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H24O6/c1-2-3-4-5-6-17-8-12(16)11(15)10(14)9(13)7-18-12/h9-11,13-16H,2-8H2,1H3/t9-,10+,11-,12+/m1/s1
InChIKeyWZOJDUJJOGDPRS-KXNHARMFSA-N
XLogP-0.62
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol (CID 57069557) is (2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol is CCCCCCOC[C@]1(O)OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is WZOJDUJJOGDPRS-KXNHARMFSA-N. The full InChI is InChI=1S/C12H24O6/c1-2-3-4-5-6-17-8-12(16)11(15)10(14)9(13)7-18-12/h9-11,13-16H,2-8H2,1H3/t9-,10+,11-,12+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol?
(2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 264.32 g/mol, XLogP of -0.62, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 57069557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).