(2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol

C12H22O6 — CID 12660648

IUPAC(2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol
SMILESC=CCO[C@@H]([C@H](OCC=C)[C@H](O)CO)[C@H](O)CO
InChIInChI=1S/C12H22O6/c1-3-5-17-11(9(15)7-13)12(10(16)8-14)18-6-4-2/h3-4,9-16H,1-2,5-8H2/t9-,10-,11-,12-/m1/s1
InChIKeyVVUHDZSEEOJGBD-DDHJBXDOSA-N
MW262.30 g/mol
LogP-1.16
Rot. Bonds11

About (2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol

(2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol (PubChem CID 12660648) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is (2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol
PubChem CID12660648
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name(2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol
SMILESC=CCO[C@@H]([C@H](OCC=C)[C@H](O)CO)[C@H](O)CO
InChIInChI=1S/C12H22O6/c1-3-5-17-11(9(15)7-13)12(10(16)8-14)18-6-4-2/h3-4,9-16H,1-2,5-8H2/t9-,10-,11-,12-/m1/s1
InChIKeyVVUHDZSEEOJGBD-DDHJBXDOSA-N
XLogP-1.16
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol?
The IUPAC name of (2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol (CID 12660648) is (2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol.
What is the SMILES notation for (2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol?
The canonical SMILES for (2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol is C=CCO[C@@H]([C@H](OCC=C)[C@H](O)CO)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol?
The InChIKey is VVUHDZSEEOJGBD-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H22O6/c1-3-5-17-11(9(15)7-13)12(10(16)8-14)18-6-4-2/h3-4,9-16H,1-2,5-8H2/t9-,10-,11-,12-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol?
(2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol has a molecular weight of 262.30 g/mol, XLogP of -1.16, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol is sourced from PubChem (CID 12660648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).