(2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol

C10H23NO5 — CID 16738764

IUPAC(2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol
SMILESCCCCNC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C10H23NO5/c1-2-3-4-11-5-7(13)9(15)10(16)8(14)6-12/h7-16H,2-6H2,1H3/t7-,8+,9+,10+/m1/s1
InChIKeyQVEUDPHFUKJQHH-KATARQTJSA-N
MW237.30 g/mol
LogP-2.19
Rot. Bonds9

About (2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol

(2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol (PubChem CID 16738764) has the molecular formula C10H23NO5 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol
PubChem CID16738764
Molecular FormulaC10H23NO5
Molecular Weight237.30 g/mol
Exact Mass237.16
IUPAC Name(2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol
SMILESCCCCNC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C10H23NO5/c1-2-3-4-11-5-7(13)9(15)10(16)8(14)6-12/h7-16H,2-6H2,1H3/t7-,8+,9+,10+/m1/s1
InChIKeyQVEUDPHFUKJQHH-KATARQTJSA-N
XLogP-2.19
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.30
LogP ≤ 5-2.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5S)-6-(hexylamino)hexane-1,2,3,4,5-pentol;6-(hexylamino)hexane-1,2,3,4,5-pentol
CID 159342301
(2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol
CID 154326806
(2R,3R,4R,5S)-6-[3-(diethylamino)propylamino]hexane-1,2,3,4,5-pentol
CID 22797316
(2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol
CID 139633655
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
(2R,3R,4R,5R)-6-(2-sulfanylethylamino)hexane-1,2,3,4,5-pentol
CID 11601181
7-(3-methylbutylamino)heptane-1,2,3,4,5,6-hexol
CID 146519465
(2R,3R,4R,5S)-6-(3-ethenoxypropylamino)hexane-1,2,3,4,5-pentol
CID 87279547
(2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid
CID 16739205
(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
CID 124819757
4-(icosylamino)-2-(nonadecylamino)butane-1,3-diol
CID 88682838
hexane-1,2,3,4,5,6-hexol;octacosan-1-ol
CID 174529828

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol?
The IUPAC name of (2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol (CID 16738764) is (2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol is CCCCNC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol?
The InChIKey is QVEUDPHFUKJQHH-KATARQTJSA-N. The full InChI is InChI=1S/C10H23NO5/c1-2-3-4-11-5-7(13)9(15)10(16)8(14)6-12/h7-16H,2-6H2,1H3/t7-,8+,9+,10+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol?
(2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol has a molecular weight of 237.30 g/mol, XLogP of -2.19, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 16738764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).