5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol

C10H21NO6 — CID 87308280

IUPAC5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol
SMILESOCC(O)CC(O)/C=N/CC(O)CC(O)CO
InChIInChI=1S/C10H21NO6/c12-5-9(16)1-7(14)3-11-4-8(15)2-10(17)6-13/h3,7-10,12-17H,1-2,4-6H2/b11-3+
InChIKeyQYSPFNWVNJMUCN-QDEBKDIKSA-N
MW251.28 g/mol
LogP-2.73
Rot. Bonds9

About 5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol

5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol (PubChem CID 87308280) has the molecular formula C10H21NO6 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol.

Molecular Properties

Compound Name5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol
PubChem CID87308280
Molecular FormulaC10H21NO6
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Name5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol
SMILESOCC(O)CC(O)/C=N/CC(O)CC(O)CO
InChIInChI=1S/C10H21NO6/c12-5-9(16)1-7(14)3-11-4-8(15)2-10(17)6-13/h3,7-10,12-17H,1-2,4-6H2/b11-3+
InChIKeyQYSPFNWVNJMUCN-QDEBKDIKSA-N
XLogP-2.73
TPSA133.74 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.28
LogP ≤ 5-2.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol?
The IUPAC name of 5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol (CID 87308280) is 5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol.
What is the SMILES notation for 5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol?
The canonical SMILES for 5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol is OCC(O)CC(O)/C=N/CC(O)CC(O)CO.
What is the InChIKey of 5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol?
The InChIKey is QYSPFNWVNJMUCN-QDEBKDIKSA-N. The full InChI is InChI=1S/C10H21NO6/c12-5-9(16)1-7(14)3-11-4-8(15)2-10(17)6-13/h3,7-10,12-17H,1-2,4-6H2/b11-3+.
What are the key properties of 5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol?
5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol has a molecular weight of 251.28 g/mol, XLogP of -2.73, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,5-trihydroxypentylideneamino)pentane-1,2,4-triol is sourced from PubChem (CID 87308280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).