azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid

C5H25N5O13S — CID 173352589

IUPACazane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid
SMILESN.N.N.N.N.O=C(O)C(O)C(O)C(=O)O.O=C(O)O.O=S(=O)(O)O
InChIInChI=1S/C4H6O6.CH2O3.5H3N.H2O4S/c5-1(3(7)8)2(6)4(9)10;2-1(3)4;;;;;;1-5(2,3)4/h1-2,5-6H,(H,7,8)(H,9,10);(H2,2,3,4);5*1H3;(H2,1,2,3,4)
InChIKeyKKTDBENHJMPHFT-UHFFFAOYSA-N
MW395.34 g/mol
LogP-1.74
Rot. Bonds3

About azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid

azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid (PubChem CID 173352589) has the molecular formula C5H25N5O13S and a molecular weight of 395.34 g/mol. Its IUPAC name is azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid.

Molecular Properties

Compound Nameazane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid
PubChem CID173352589
Molecular FormulaC5H25N5O13S
Molecular Weight395.34 g/mol
Exact Mass395.12
IUPAC Nameazane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid
SMILESN.N.N.N.N.O=C(O)C(O)C(O)C(=O)O.O=C(O)O.O=S(=O)(O)O
InChIInChI=1S/C4H6O6.CH2O3.5H3N.H2O4S/c5-1(3(7)8)2(6)4(9)10;2-1(3)4;;;;;;1-5(2,3)4/h1-2,5-6H,(H,7,8)(H,9,10);(H2,2,3,4);5*1H3;(H2,1,2,3,4)
InChIKeyKKTDBENHJMPHFT-UHFFFAOYSA-N
XLogP-1.74
TPSA422.19 Ų
H-Bond Donors13
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500395.34
LogP ≤ 5-1.74
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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CID 174682614
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CID 3083786
lithium;potassium;2,3-dihydroxybutanedioic acid;hydride
CID 173108062
dilithium;2,3-dihydroxybutanedioic acid;hydride;hydrate
CID 173273256
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
CID 175721627
CID 175721627
2-methylpropanoic acid;sulfuric acid
CID 160710390

Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid?
The IUPAC name of azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid (CID 173352589) is azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid.
What is the SMILES notation for azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid?
The canonical SMILES for azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid is N.N.N.N.N.O=C(O)C(O)C(O)C(=O)O.O=C(O)O.O=S(=O)(O)O.
What is the InChIKey of azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid?
The InChIKey is KKTDBENHJMPHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.CH2O3.5H3N.H2O4S/c5-1(3(7)8)2(6)4(9)10;2-1(3)4;;;;;;1-5(2,3)4/h1-2,5-6H,(H,7,8)(H,9,10);(H2,2,3,4);5*1H3;(H2,1,2,3,4).
What are the key properties of azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid?
azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid has a molecular weight of 395.34 g/mol, XLogP of -1.74, 3 rotatable bonds, 13 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid is sourced from PubChem (CID 173352589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).