3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol

C15H32N2O8 — CID 87736507

IUPAC3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol
SMILESCC=C(N(CC(O)CO)CC(O)CO)N(CC(O)CO)CC(O)CO
InChIInChI=1S/C15H32N2O8/c1-2-15(16(3-11(22)7-18)4-12(23)8-19)17(5-13(24)9-20)6-14(25)10-21/h2,11-14,18-25H,3-10H2,1H3
InChIKeyVPITXCGKNRRJTQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP-4.14
Rot. Bonds14

About 3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol

3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol (PubChem CID 87736507) has the molecular formula C15H32N2O8 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol
PubChem CID87736507
Molecular FormulaC15H32N2O8
Molecular Weight368.43 g/mol
Exact Mass368.22
IUPAC Name3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol
SMILESCC=C(N(CC(O)CO)CC(O)CO)N(CC(O)CO)CC(O)CO
InChIInChI=1S/C15H32N2O8/c1-2-15(16(3-11(22)7-18)4-12(23)8-19)17(5-13(24)9-20)6-14(25)10-21/h2,11-14,18-25H,3-10H2,1H3
InChIKeyVPITXCGKNRRJTQ-UHFFFAOYSA-N
XLogP-4.14
TPSA168.32 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 5-4.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol?
The IUPAC name of 3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol (CID 87736507) is 3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol is CC=C(N(CC(O)CO)CC(O)CO)N(CC(O)CO)CC(O)CO.
What is the InChIKey of 3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol?
The InChIKey is VPITXCGKNRRJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O8/c1-2-15(16(3-11(22)7-18)4-12(23)8-19)17(5-13(24)9-20)6-14(25)10-21/h2,11-14,18-25H,3-10H2,1H3.
What are the key properties of 3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol?
3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol has a molecular weight of 368.43 g/mol, XLogP of -4.14, 14 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol is sourced from PubChem (CID 87736507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).