2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid

C6H15NO10S — CID 174474944

IUPAC2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid
SMILESNC(=O)C(O)C(O)C(O)C(O)CO.O=S(=O)(O)O
InChIInChI=1S/C6H13NO6.H2O4S/c7-6(13)5(12)4(11)3(10)2(9)1-8;1-5(2,3)4/h2-5,8-12H,1H2,(H2,7,13);(H2,1,2,3,4)
InChIKeyUSDAQJSRGJCNNX-UHFFFAOYSA-N
MW293.25 g/mol
LogP-4.75
Rot. Bonds5

About 2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid

2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid (PubChem CID 174474944) has the molecular formula C6H15NO10S and a molecular weight of 293.25 g/mol. Its IUPAC name is 2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid.

Molecular Properties

Compound Name2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid
PubChem CID174474944
Molecular FormulaC6H15NO10S
Molecular Weight293.25 g/mol
Exact Mass293.04
IUPAC Name2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid
SMILESNC(=O)C(O)C(O)C(O)C(O)CO.O=S(=O)(O)O
InChIInChI=1S/C6H13NO6.H2O4S/c7-6(13)5(12)4(11)3(10)2(9)1-8;1-5(2,3)4/h2-5,8-12H,1H2,(H2,7,13);(H2,1,2,3,4)
InChIKeyUSDAQJSRGJCNNX-UHFFFAOYSA-N
XLogP-4.75
TPSA218.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.25
LogP ≤ 5-4.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3,4,5,6,7-pentahydroxy-2-oxoheptanamide
CID 174921304
nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
CID 175089243
azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid
CID 175470140
(2S,3S,4R,5R)-N-deuterio-2,3,4,5,6-pentahydroxyhexanamide
CID 141062864
2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
CID 87948999
2,3,4,5,6-pentahydroxyhexanoic acid;phosphoric acid;sulfuric acid
CID 174408519
2-oxopentanedioic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
CID 175889338
[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxysulfonyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 174384269
[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl] (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 174757733
(2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid
CID 162332492
bis((2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal);sulfuric acid
CID 73415774
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid?
The IUPAC name of 2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid (CID 174474944) is 2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid.
What is the SMILES notation for 2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid?
The canonical SMILES for 2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid is NC(=O)C(O)C(O)C(O)C(O)CO.O=S(=O)(O)O.
What is the InChIKey of 2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid?
The InChIKey is USDAQJSRGJCNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO6.H2O4S/c7-6(13)5(12)4(11)3(10)2(9)1-8;1-5(2,3)4/h2-5,8-12H,1H2,(H2,7,13);(H2,1,2,3,4).
What are the key properties of 2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid?
2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid has a molecular weight of 293.25 g/mol, XLogP of -4.75, 5 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid is sourced from PubChem (CID 174474944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).