(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate

C15H18N2O10 — CID 54220759

IUPAC(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate
SMILESO=C(OCCCCCOC(=O)On1c(O)ccc1O)On1c(O)ccc1O
InChIInChI=1S/C15H18N2O10/c18-10-4-5-11(19)16(10)26-14(22)24-8-2-1-3-9-25-15(23)27-17-12(20)6-7-13(17)21/h4-7,18-21H,1-3,8-9H2
InChIKeyQCKMXMPUPDGVJL-UHFFFAOYSA-N
MW386.31 g/mol
LogP1.11
Rot. Bonds8

About (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate

(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate (PubChem CID 54220759) has the molecular formula C15H18N2O10 and a molecular weight of 386.31 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate
PubChem CID54220759
Molecular FormulaC15H18N2O10
Molecular Weight386.31 g/mol
Exact Mass386.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate
SMILESO=C(OCCCCCOC(=O)On1c(O)ccc1O)On1c(O)ccc1O
InChIInChI=1S/C15H18N2O10/c18-10-4-5-11(19)16(10)26-14(22)24-8-2-1-3-9-25-15(23)27-17-12(20)6-7-13(17)21/h4-7,18-21H,1-3,8-9H2
InChIKeyQCKMXMPUPDGVJL-UHFFFAOYSA-N
XLogP1.11
TPSA161.84 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dihydroxypyrrol-1-yl) 3-hydroxypropyl carbonate
CID 90710397
(2,5-dihydroxypyrrol-1-yl) 4,4,4-trifluorobutyl carbonate
CID 91214823
(2,5-dihydroxypyrrol-1-yl) 4-methylheptyl carbonate
CID 91213174
(2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate
CID 54485637
bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
(2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate
CID 91471476
(3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl) 4-[(3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)oxycarbonyloxy]butyl carbonate
CID 91034045
7-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl heptanedioate
CID 123764437
(2,5-dihydroxypyrrol-1-yl) 11-sulfanylundecanoate
CID 91565220
(2,5-dihydroxypyrrol-1-yl) 6-(1-ethoxyethylideneamino)oxyhexanoate
CID 91392417
[4-(2-aminoacetyl)phenyl] (2,5-dihydroxypyrrol-1-yl) carbonate
CID 90975778
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-(2-methoxyethyl) butanedioate
CID 90907971

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate (CID 54220759) is (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate is O=C(OCCCCCOC(=O)On1c(O)ccc1O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate?
The InChIKey is QCKMXMPUPDGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O10/c18-10-4-5-11(19)16(10)26-14(22)24-8-2-1-3-9-25-15(23)27-17-12(20)6-7-13(17)21/h4-7,18-21H,1-3,8-9H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate?
(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate has a molecular weight of 386.31 g/mol, XLogP of 1.11, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate is sourced from PubChem (CID 54220759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).