[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate

C11H12NO6P-2 — CID 25246146

IUPAC[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate
SMILESO=P([O-])([O-])OCC(O)C(O)c1c[nH]c2ccccc12
InChIInChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/p-2
InChIKeyNQEQTYPJSIEPHW-UHFFFAOYSA-L
MW285.19 g/mol
LogP-0.59
Rot. Bonds5

About [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate

[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate (PubChem CID 25246146) has the molecular formula C11H12NO6P-2 and a molecular weight of 285.19 g/mol. Its IUPAC name is [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate.

Molecular Properties

Compound Name[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate
PubChem CID25246146
Molecular FormulaC11H12NO6P-2
Molecular Weight285.19 g/mol
Exact Mass285.04
IUPAC Name[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate
SMILESO=P([O-])([O-])OCC(O)C(O)c1c[nH]c2ccccc12
InChIInChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/p-2
InChIKeyNQEQTYPJSIEPHW-UHFFFAOYSA-L
XLogP-0.59
TPSA128.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate?
The IUPAC name of [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate (CID 25246146) is [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate.
What is the SMILES notation for [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate?
The canonical SMILES for [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate is O=P([O-])([O-])OCC(O)C(O)c1c[nH]c2ccccc12.
What is the InChIKey of [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate?
The InChIKey is NQEQTYPJSIEPHW-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/p-2.
What are the key properties of [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate?
[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate has a molecular weight of 285.19 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate is sourced from PubChem (CID 25246146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).