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

C11H12NO6P-2 — CID 46878464

IUPAC[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate
SMILESO=P([O-])([O-])OC[C@@H](O)[C@@H](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/t10-,11+/m1/s1
InChIKeyNQEQTYPJSIEPHW-MNOVXSKESA-L
MW285.19 g/mol
LogP-0.59
Rot. Bonds5

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

[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate (PubChem CID 46878464) has the molecular formula C11H12NO6P-2 and a molecular weight of 285.19 g/mol. Its IUPAC name is [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate.

Molecular Properties

Compound Name[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate
PubChem CID46878464
Molecular FormulaC11H12NO6P-2
Molecular Weight285.19 g/mol
Exact Mass285.04
IUPAC Name[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate
SMILESO=P([O-])([O-])OC[C@@H](O)[C@@H](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/t10-,11+/m1/s1
InChIKeyNQEQTYPJSIEPHW-MNOVXSKESA-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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Related Compounds

disodium;hydrogen phosphate;1H-indol-3-ol
CID 67341741
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907
(3S)-3-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 42553560
(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol
CID 73349379
(S)-1H-indol-3-yl-(2-nitrophenyl)methanol
CID 101411008
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
1H-indol-3-yl-(4-nitrophenyl)methanol
CID 10265008
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
ethyl (2R,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
CID 14735622
(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
CID 164684988

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate?
The IUPAC name of [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate (CID 46878464) is [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate.
What is the SMILES notation for [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate?
The canonical SMILES for [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate is O=P([O-])([O-])OC[C@@H](O)[C@@H](O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate?
The InChIKey is NQEQTYPJSIEPHW-MNOVXSKESA-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/t10-,11+/m1/s1.
What are the key properties of [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate?
[(2R,3S)-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 [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate is sourced from PubChem (CID 46878464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).