bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride

C16H38Cl2N6NiO8 — CID 10325734

IUPACbis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride
SMILESNCCN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.NCCN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/2C8H19N3O4.2ClH.Ni/c2*9-1-2-11-8-5(10)7(14)6(13)4(3-12)15-8;;;/h2*4-8,11-14H,1-3,9-10H2;2*1H;/q;;;;+2/p-2/t2*4-,5-,6-,7-,8-;;;/m11.../s1
InChIKeyMWTXFMBRODMQIR-MVVAXDIQSA-L
MW572.11 g/mol
LogP-13.39
Rot. Bonds8

About bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride

bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride (PubChem CID 10325734) has the molecular formula C16H38Cl2N6NiO8 and a molecular weight of 572.11 g/mol. Its IUPAC name is bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride.

Molecular Properties

Compound Namebis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride
PubChem CID10325734
Molecular FormulaC16H38Cl2N6NiO8
Molecular Weight572.11 g/mol
Exact Mass570.15
IUPAC Namebis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride
SMILESNCCN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.NCCN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/2C8H19N3O4.2ClH.Ni/c2*9-1-2-11-8-5(10)7(14)6(13)4(3-12)15-8;;;/h2*4-8,11-14H,1-3,9-10H2;2*1H;/q;;;;+2/p-2/t2*4-,5-,6-,7-,8-;;;/m11.../s1
InChIKeyMWTXFMBRODMQIR-MVVAXDIQSA-L
XLogP-13.39
TPSA267.98 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500572.11
LogP ≤ 5-13.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Analyze bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)-6-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol
CID 85428971
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrofluoride
CID 139962183
(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70695223
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol
CID 130967285
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735

Frequently Asked Questions

What is the IUPAC name of bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride?
The IUPAC name of bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride (CID 10325734) is bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride.
What is the SMILES notation for bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride?
The canonical SMILES for bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride is NCCN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.NCCN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.[Cl-].[Cl-].[Ni+2].
What is the InChIKey of bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride?
The InChIKey is MWTXFMBRODMQIR-MVVAXDIQSA-L. The full InChI is InChI=1S/2C8H19N3O4.2ClH.Ni/c2*9-1-2-11-8-5(10)7(14)6(13)4(3-12)15-8;;;/h2*4-8,11-14H,1-3,9-10H2;2*1H;/q;;;;+2/p-2/t2*4-,5-,6-,7-,8-;;;/m11.../s1.
What are the key properties of bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride?
bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride has a molecular weight of 572.11 g/mol, XLogP of -13.39, 8 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride is sourced from PubChem (CID 10325734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).