nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide

C6H14N2O9 — CID 175089243

IUPACnitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
SMILESNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=[N+]([O-])O
InChIInChI=1S/C6H13NO6.HNO3/c7-6(13)5(12)4(11)3(10)2(9)1-8;2-1(3)4/h2-5,8-12H,1H2,(H2,7,13);(H,2,3,4)/t2-,3-,4+,5-;/m1./s1
InChIKeySZTQGNWRFPHMGA-JJKGCWMISA-N
MW258.18 g/mol
LogP-4.44
Rot. Bonds5

About nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide

nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 175089243) has the molecular formula C6H14N2O9 and a molecular weight of 258.18 g/mol. Its IUPAC name is nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Namenitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID175089243
Molecular FormulaC6H14N2O9
Molecular Weight258.18 g/mol
Exact Mass258.07
IUPAC Namenitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
SMILESNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=[N+]([O-])O
InChIInChI=1S/C6H13NO6.HNO3/c7-6(13)5(12)4(11)3(10)2(9)1-8;2-1(3)4/h2-5,8-12H,1H2,(H2,7,13);(H,2,3,4)/t2-,3-,4+,5-;/m1./s1
InChIKeySZTQGNWRFPHMGA-JJKGCWMISA-N
XLogP-4.44
TPSA207.61 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.18
LogP ≤ 5-4.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid
CID 174474944
3,4,5,6,7-pentahydroxy-2-oxoheptanamide
CID 174921304
2-oxopentanedioic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
CID 175889338
(2S,3S,4R,5R)-N-deuterio-2,3,4,5,6-pentahydroxyhexanamide
CID 141062864
(2S,3R,4R)-2,3,4,5-tetrahydroxy-1-nitropentan-1-one
CID 154114612
2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
CID 87948999
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
CID 23618074
CID 23618074
indium(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 24815492
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 71587380
CID 171700327
CID 171700327
[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl] (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 174757733

Frequently Asked Questions

What is the IUPAC name of nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide (CID 175089243) is nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide is NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=[N+]([O-])O.
What is the InChIKey of nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is SZTQGNWRFPHMGA-JJKGCWMISA-N. The full InChI is InChI=1S/C6H13NO6.HNO3/c7-6(13)5(12)4(11)3(10)2(9)1-8;2-1(3)4/h2-5,8-12H,1H2,(H2,7,13);(H,2,3,4)/t2-,3-,4+,5-;/m1./s1.
What are the key properties of nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide?
nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 258.18 g/mol, XLogP of -4.44, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 175089243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).