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

C11H14NO6P — CID 799

IUPAC[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen 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)
InChIKeyNQEQTYPJSIEPHW-UHFFFAOYSA-N
MW287.21 g/mol
LogP0.67
Rot. Bonds5

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

[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate (PubChem CID 799) has the molecular formula C11H14NO6P and a molecular weight of 287.21 g/mol. Its IUPAC name is [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate
PubChem CID799
Molecular FormulaC11H14NO6P
Molecular Weight287.21 g/mol
Exact Mass287.06
IUPAC Name[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen 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)
InChIKeyNQEQTYPJSIEPHW-UHFFFAOYSA-N
XLogP0.67
TPSA123.01 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 50.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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] dihydrogen phosphate?
The IUPAC name of [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate (CID 799) is [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate.
What is the SMILES notation for [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate?
The canonical SMILES for [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen 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] dihydrogen phosphate?
The InChIKey is NQEQTYPJSIEPHW-UHFFFAOYSA-N. 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).
What are the key properties of [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate?
[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate has a molecular weight of 287.21 g/mol, XLogP of 0.67, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate is sourced from PubChem (CID 799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).