1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione

C11H19N3O8 — CID 59245377

IUPAC1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCO)c(=O)n(CC(O)CO)c(=O)n1CC(O)CO
InChIInChI=1S/C11H19N3O8/c15-2-1-12-9(20)13(3-7(18)5-16)11(22)14(10(12)21)4-8(19)6-17/h7-8,15-19H,1-6H2
InChIKeyYJDRXFVUJRXIMG-UHFFFAOYSA-N
MW321.29 g/mol
LogP-5.13
Rot. Bonds8

About 1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione

1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 59245377) has the molecular formula C11H19N3O8 and a molecular weight of 321.29 g/mol. Its IUPAC name is 1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID59245377
Molecular FormulaC11H19N3O8
Molecular Weight321.29 g/mol
Exact Mass321.12
IUPAC Name1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCO)c(=O)n(CC(O)CO)c(=O)n1CC(O)CO
InChIInChI=1S/C11H19N3O8/c15-2-1-12-9(20)13(3-7(18)5-16)11(22)14(10(12)21)4-8(19)6-17/h7-8,15-19H,1-6H2
InChIKeyYJDRXFVUJRXIMG-UHFFFAOYSA-N
XLogP-5.13
TPSA167.15 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.29
LogP ≤ 5-5.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 59245377) is 1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is O=c1n(CCO)c(=O)n(CC(O)CO)c(=O)n1CC(O)CO.
What is the InChIKey of 1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is YJDRXFVUJRXIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O8/c15-2-1-12-9(20)13(3-7(18)5-16)11(22)14(10(12)21)4-8(19)6-17/h7-8,15-19H,1-6H2.
What are the key properties of 1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 321.29 g/mol, XLogP of -5.13, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59245377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).