azane;carbonic acid

C49H113N5O147 — CID 173237446

IUPACazane;carbonic acid
SMILESN.N.N.N.N.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/49CH2O3.5H3N/c49*2-1(3)4;;;;;/h49*(H2,2,3,4);5*1H3
InChIKeyYBIMVSFHZDVYNU-UHFFFAOYSA-N
MW3124.33 g/mol
LogP11.71
Rot. Bonds

About azane;carbonic acid

azane;carbonic acid (PubChem CID 173237446) has the molecular formula C49H113N5O147 and a molecular weight of 3124.33 g/mol. Its IUPAC name is azane;carbonic acid.

Molecular Properties

Compound Nameazane;carbonic acid
PubChem CID173237446
Molecular FormulaC49H113N5O147
Molecular Weight3124.33 g/mol
Exact Mass3123.15
IUPAC Nameazane;carbonic acid
SMILESN.N.N.N.N.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/49CH2O3.5H3N/c49*2-1(3)4;;;;;/h49*(H2,2,3,4);5*1H3
InChIKeyYBIMVSFHZDVYNU-UHFFFAOYSA-N
XLogP11.71
TPSA2993.97 Ų
H-Bond Donors103
H-Bond Acceptors54
Rotatable Bonds
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003124.33
LogP ≤ 511.71
H-Bond Donors ≤ 5103
H-Bond Acceptors ≤ 1054

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Related Compounds

azane;carbonic acid
CID 71309526
azane;carbonic acid;platinum
CID 72668728
alumane;azane;carbonic acid
CID 174862963
azane;carbonic acid;hydrofluoride
CID 173095624
alumane;azane;carbonic acid
CID 173312756
azane;carbonic acid;chromium;copper
CID 173415383
azane;carbonic acid;cobalt;hydrochloride
CID 173309520
zinc;azane;carbonic acid;hydron
CID 173256903
azane;carbonic acid;oxalic acid
CID 174837249
azane;carbonic acid;titanium;zirconium
CID 174876305
azane;carbonic acid;zinc;zirconium
CID 173042051
carbonic acid;dihydrofluoride
CID 172764528

Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid?
The IUPAC name of azane;carbonic acid (CID 173237446) is azane;carbonic acid.
What is the SMILES notation for azane;carbonic acid?
The canonical SMILES for azane;carbonic acid is N.N.N.N.N.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.
What is the InChIKey of azane;carbonic acid?
The InChIKey is YBIMVSFHZDVYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/49CH2O3.5H3N/c49*2-1(3)4;;;;;/h49*(H2,2,3,4);5*1H3.
What are the key properties of azane;carbonic acid?
azane;carbonic acid has a molecular weight of 3124.33 g/mol, XLogP of 11.71, 0 rotatable bonds, 103 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid is sourced from PubChem (CID 173237446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).