6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol

C12H27NO8 — CID 171850439

IUPAC6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol
SMILESOCCC(O)C(O)C(O)CNCC(O)C(O)C(O)CCO
InChIInChI=1S/C12H27NO8/c14-3-1-7(16)11(20)9(18)5-13-6-10(19)12(21)8(17)2-4-15/h7-21H,1-6H2
InChIKeyVPFSKXYSFMZTDN-UHFFFAOYSA-N
MW313.35 g/mol
LogP-4.49
Rot. Bonds12

About 6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol

6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol (PubChem CID 171850439) has the molecular formula C12H27NO8 and a molecular weight of 313.35 g/mol. Its IUPAC name is 6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol.

Molecular Properties

Compound Name6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol
PubChem CID171850439
Molecular FormulaC12H27NO8
Molecular Weight313.35 g/mol
Exact Mass313.17
IUPAC Name6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol
SMILESOCCC(O)C(O)C(O)CNCC(O)C(O)C(O)CCO
InChIInChI=1S/C12H27NO8/c14-3-1-7(16)11(20)9(18)5-13-6-10(19)12(21)8(17)2-4-15/h7-21H,1-6H2
InChIKeyVPFSKXYSFMZTDN-UHFFFAOYSA-N
XLogP-4.49
TPSA173.87 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.35
LogP ≤ 5-4.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

(3R,4S)-6-(propan-2-ylamino)hexane-1,3,4,5-tetrol
CID 156749443
N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide
CID 89219701
octane-1,3,4,5-tetrol
CID 18506400
heptane-1,2,3,4,5,7-hexol
CID 88922638
(2S,3R,4S,5R)-2,3,4,5,7-pentahydroxyheptanal
CID 87503461
1,2-diaminopentane-1,3,5-triol
CID 57298099
(2R,3S,4S)-2,3,4,6-tetrahydroxyhexane-1-sulfonic acid
CID 166513902
(2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol
CID 139633655
2-aminohexane-1,1,3,4,6-pentol
CID 89321617
4,4-dichlorobutane-1,3-diol
CID 22137487
2-(hydroxymethyl)pentane-1,3,5-triol
CID 123357506
7-(3-methylbutylamino)heptane-1,2,3,4,5,6-hexol
CID 146519465

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol?
The IUPAC name of 6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol (CID 171850439) is 6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol.
What is the SMILES notation for 6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol?
The canonical SMILES for 6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol is OCCC(O)C(O)C(O)CNCC(O)C(O)C(O)CCO.
What is the InChIKey of 6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol?
The InChIKey is VPFSKXYSFMZTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO8/c14-3-1-7(16)11(20)9(18)5-13-6-10(19)12(21)8(17)2-4-15/h7-21H,1-6H2.
What are the key properties of 6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol?
6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol has a molecular weight of 313.35 g/mol, XLogP of -4.49, 12 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol is sourced from PubChem (CID 171850439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).