(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol

C13H30N2O10 — CID 159492637

IUPAC(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
SMILESCN[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO5.C6H15NO5/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,2H2,1H3;3-6,8-12H,1-2,7H2/t3-,4-,5-,6-,7?;3-,4+,5+,6+/m10/s1
InChIKeyLYJQRUZLNBHMKS-WNRIFIIBSA-N
MW374.39 g/mol
LogP-6.61
Rot. Bonds7

About (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol

(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol (PubChem CID 159492637) has the molecular formula C13H30N2O10 and a molecular weight of 374.39 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
PubChem CID159492637
Molecular FormulaC13H30N2O10
Molecular Weight374.39 g/mol
Exact Mass374.19
IUPAC Name(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
SMILESCN[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO5.C6H15NO5/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,2H2,1H3;3-6,8-12H,1-2,7H2/t3-,4-,5-,6-,7?;3-,4+,5+,6+/m10/s1
InChIKeyLYJQRUZLNBHMKS-WNRIFIIBSA-N
XLogP-6.61
TPSA229.35 Ų
H-Bond Donors11
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500374.39
LogP ≤ 5-6.61
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1012

Analyze (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol with MolForge

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Related Compounds

(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
(3R,4R,5R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 126608918
(3R,4R,5R,6R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58606874
(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol
CID 22863347
(2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol
CID 90657093
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 54690731
(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 175358932
(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 172768726
(3S,4R,6S)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol;formaldehyde
CID 160500295
(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70829993
hexane-1,2,3,4,5,6-hexol;1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol
CID 174522135

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol (CID 159492637) is (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol is CN[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The InChIKey is LYJQRUZLNBHMKS-WNRIFIIBSA-N. The full InChI is InChI=1S/C7H15NO5.C6H15NO5/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,2H2,1H3;3-6,8-12H,1-2,7H2/t3-,4-,5-,6-,7?;3-,4+,5+,6+/m10/s1.
What are the key properties of (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol has a molecular weight of 374.39 g/mol, XLogP of -6.61, 7 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol is sourced from PubChem (CID 159492637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).