1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol

C20H30N4O2 — CID 139031373

IUPAC1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol
SMILESOC1C2C=CC(CC3C=CC(N3)C(O)C3CCC(CC4C=CC1N4)N3)N2
InChIInChI=1S/C20H30N4O2/c25-19-15-5-1-11(21-15)9-12-2-6-17(22-12)20(26)18-8-4-14(24-18)10-13-3-7-16(19)23-13/h1-3,5-7,11-26H,4,8-10H2
InChIKeyBNTOICGYTAXHBX-UHFFFAOYSA-N
MW358.49 g/mol
LogP-0.69
Rot. Bonds

About 1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol

1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol (PubChem CID 139031373) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol.

Molecular Properties

Compound Name1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol
PubChem CID139031373
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol
SMILESOC1C2C=CC(CC3C=CC(N3)C(O)C3CCC(CC4C=CC1N4)N3)N2
InChIInChI=1S/C20H30N4O2/c25-19-15-5-1-11(21-15)9-12-2-6-17(22-12)20(26)18-8-4-14(24-18)10-13-3-7-16(19)23-13/h1-3,5-7,11-26H,4,8-10H2
InChIKeyBNTOICGYTAXHBX-UHFFFAOYSA-N
XLogP-0.69
TPSA88.58 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 5-0.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol?
The IUPAC name of 1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol (CID 139031373) is 1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol.
What is the SMILES notation for 1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol?
The canonical SMILES for 1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol is OC1C2C=CC(CC3C=CC(N3)C(O)C3CCC(CC4C=CC1N4)N3)N2.
What is the InChIKey of 1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol?
The InChIKey is BNTOICGYTAXHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19-15-5-1-11(21-15)9-12-2-6-17(22-12)20(26)18-8-4-14(24-18)10-13-3-7-16(19)23-13/h1-3,5-7,11-26H,4,8-10H2.
What are the key properties of 1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol?
1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol has a molecular weight of 358.49 g/mol, XLogP of -0.69, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,9,10,11,14,15,16,19,20,21,22,23,24-octadecahydroporphyrin-5,15-diol is sourced from PubChem (CID 139031373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).