(2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride

C8H20ClNO5 — CID 169438924

IUPAC(2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride
SMILESCN(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cl
InChIInChI=1S/C8H19NO5.ClH/c1-9(2)3-5(11)7(13)8(14)6(12)4-10;/h5-8,10-14H,3-4H2,1-2H3;1H/t5-,6+,7+,8+;/m0./s1
InChIKeyLQHDEGQXAYWMIZ-ANJNCBFHSA-N
MW245.70 g/mol
LogP-2.59
Rot. Bonds6

About (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride

(2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride (PubChem CID 169438924) has the molecular formula C8H20ClNO5 and a molecular weight of 245.70 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride
PubChem CID169438924
Molecular FormulaC8H20ClNO5
Molecular Weight245.70 g/mol
Exact Mass245.10
IUPAC Name(2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride
SMILESCN(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cl
InChIInChI=1S/C8H19NO5.ClH/c1-9(2)3-5(11)7(13)8(14)6(12)4-10;/h5-8,10-14H,3-4H2,1-2H3;1H/t5-,6+,7+,8+;/m0./s1
InChIKeyLQHDEGQXAYWMIZ-ANJNCBFHSA-N
XLogP-2.59
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride with MolForge

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Related Compounds

6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane
CID 171505184
(2R,3R,4R,5S)-6-[methyl(propan-2-yl)amino]hexane-1,2,3,4,5-pentol
CID 58957788
heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioate
CID 7059586
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride?
The IUPAC name of (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride (CID 169438924) is (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride.
What is the SMILES notation for (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride?
The canonical SMILES for (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride is CN(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cl.
What is the InChIKey of (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride?
The InChIKey is LQHDEGQXAYWMIZ-ANJNCBFHSA-N. The full InChI is InChI=1S/C8H19NO5.ClH/c1-9(2)3-5(11)7(13)8(14)6(12)4-10;/h5-8,10-14H,3-4H2,1-2H3;1H/t5-,6+,7+,8+;/m0./s1.
What are the key properties of (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride?
(2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride has a molecular weight of 245.70 g/mol, XLogP of -2.59, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride is sourced from PubChem (CID 169438924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).