(2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol

C13H21NO5 — CID 141022283

IUPAC(2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol
SMILES[2H]N(Cc1ccccc1)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H21NO5/c15-8-11(17)13(19)12(18)10(16)7-14-6-9-4-2-1-3-5-9/h1-5,10-19H,6-8H2/t10-,11+,12+,13+/m0/s1/i/hD
InChIKeyGXNAHMSFQNFFSO-TWPCVSCRSA-N
MW272.32 g/mol
LogP-1.79
Rot. Bonds8

About (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol (PubChem CID 141022283) has the molecular formula C13H21NO5 and a molecular weight of 272.32 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol
PubChem CID141022283
Molecular FormulaC13H21NO5
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name(2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol
SMILES[2H]N(Cc1ccccc1)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H21NO5/c15-8-11(17)13(19)12(18)10(16)7-14-6-9-4-2-1-3-5-9/h1-5,10-19H,6-8H2/t10-,11+,12+,13+/m0/s1/i/hD
InChIKeyGXNAHMSFQNFFSO-TWPCVSCRSA-N
XLogP-1.79
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.32
LogP ≤ 5-1.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol with MolForge

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Related Compounds

(2R,3S,4R,5R)-5,6-bis(benzylamino)hexane-1,2,3,4-tetrol
CID 90358448
(2R,3R,4S,5R)-2-(benzylamino)-3,4,5,6-tetrahydroxyhexanoic acid
CID 144649374
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961
(2S,3R,4S,5R)-2-(benzylamino)-3,4,5,6-tetrahydroxyhexanal
CID 89051975
(E,2R,3R,4S,5S)-5-(benzylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol
CID 135004799
(2S,3S,4R)-5,5-bis(benzylsulfanyl)pentane-1,2,3,4-tetrol
CID 11111703
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
(2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797318
(2S,3S)-5-(benzylamino)pentane-1,2,3-triol
CID 22804690
(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797314
(2S,3S,4R)-4-(benzylamino)octadecane-1,2,3-triol
CID 56653266
(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
CID 142718229

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol (CID 141022283) is (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol is [2H]N(Cc1ccccc1)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol?
The InChIKey is GXNAHMSFQNFFSO-TWPCVSCRSA-N. The full InChI is InChI=1S/C13H21NO5/c15-8-11(17)13(19)12(18)10(16)7-14-6-9-4-2-1-3-5-9/h1-5,10-19H,6-8H2/t10-,11+,12+,13+/m0/s1/i/hD.
What are the key properties of (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol has a molecular weight of 272.32 g/mol, XLogP of -1.79, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 141022283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).