carbonic acid;tris(ethane-1,2-diamine)

C12H36N6O18 — CID 173023593

IUPACcarbonic acid;tris(ethane-1,2-diamine)
SMILESNCCN.NCCN.NCCN.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/3C2H8N2.6CH2O3/c3*3-1-2-4;6*2-1(3)4/h3*1-4H2;6*(H2,2,3,4)
InChIKeyYMVGQFBJKRYUSP-UHFFFAOYSA-N
MW552.44 g/mol
LogP-1.95
Rot. Bonds3

About carbonic acid;tris(ethane-1,2-diamine)

carbonic acid;tris(ethane-1,2-diamine) (PubChem CID 173023593) has the molecular formula C12H36N6O18 and a molecular weight of 552.44 g/mol. Its IUPAC name is carbonic acid;tris(ethane-1,2-diamine).

Molecular Properties

Compound Namecarbonic acid;tris(ethane-1,2-diamine)
PubChem CID173023593
Molecular FormulaC12H36N6O18
Molecular Weight552.44 g/mol
Exact Mass552.21
IUPAC Namecarbonic acid;tris(ethane-1,2-diamine)
SMILESNCCN.NCCN.NCCN.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/3C2H8N2.6CH2O3/c3*3-1-2-4;6*2-1(3)4/h3*1-4H2;6*(H2,2,3,4)
InChIKeyYMVGQFBJKRYUSP-UHFFFAOYSA-N
XLogP-1.95
TPSA501.30 Ų
H-Bond Donors18
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500552.44
LogP ≤ 5-1.95
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1012

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CID 160895097
CID 160895097
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CID 173312624
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Frequently Asked Questions

What is the IUPAC name of carbonic acid;tris(ethane-1,2-diamine)?
The IUPAC name of carbonic acid;tris(ethane-1,2-diamine) (CID 173023593) is carbonic acid;tris(ethane-1,2-diamine).
What is the SMILES notation for carbonic acid;tris(ethane-1,2-diamine)?
The canonical SMILES for carbonic acid;tris(ethane-1,2-diamine) is NCCN.NCCN.NCCN.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 carbonic acid;tris(ethane-1,2-diamine)?
The InChIKey is YMVGQFBJKRYUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H8N2.6CH2O3/c3*3-1-2-4;6*2-1(3)4/h3*1-4H2;6*(H2,2,3,4).
What are the key properties of carbonic acid;tris(ethane-1,2-diamine)?
carbonic acid;tris(ethane-1,2-diamine) has a molecular weight of 552.44 g/mol, XLogP of -1.95, 3 rotatable bonds, 18 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;tris(ethane-1,2-diamine) is sourced from PubChem (CID 173023593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).