2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate

C7H16NO7P — CID 144571535

IUPAC2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate
SMILESO=CNCCCOP(=O)(O)OCC(O)CO
InChIInChI=1S/C7H16NO7P/c9-4-7(11)5-15-16(12,13)14-3-1-2-8-6-10/h6-7,9,11H,1-5H2,(H,8,10)(H,12,13)
InChIKeyIGWRDWOSTRWFCI-UHFFFAOYSA-N
MW257.18 g/mol
LogP-1.39
Rot. Bonds10

About 2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate

2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate (PubChem CID 144571535) has the molecular formula C7H16NO7P and a molecular weight of 257.18 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate
PubChem CID144571535
Molecular FormulaC7H16NO7P
Molecular Weight257.18 g/mol
Exact Mass257.07
IUPAC Name2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate
SMILESO=CNCCCOP(=O)(O)OCC(O)CO
InChIInChI=1S/C7H16NO7P/c9-4-7(11)5-15-16(12,13)14-3-1-2-8-6-10/h6-7,9,11H,1-5H2,(H,8,10)(H,12,13)
InChIKeyIGWRDWOSTRWFCI-UHFFFAOYSA-N
XLogP-1.39
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 175855975
CID 175855975
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
2,3-dihydroxypropyl 16-methylheptadecyl hydrogen phosphate
CID 87276102
2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate
CID 10215711
ethyl N-[2-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl]carbamate
CID 139583363
ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate
CID 163082500
2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate
CID 118891613
2,3-dihydroxypropyl [hydroxy(octoxy)phosphoryl] octyl phosphate
CID 87528865
3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropyl tetradecanoate
CID 130351819
[(2S)-2,3-dihydroxypropyl] [(2R)-2-hydroxy-3-icosoxypropyl] hydrogen phosphate
CID 52927460
2,3-dihydroxypropyl (2-hydroxy-3-icosoxypropyl) hydrogen phosphate
CID 75960345
[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 153447851

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate?
The IUPAC name of 2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate (CID 144571535) is 2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate.
What is the SMILES notation for 2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate?
The canonical SMILES for 2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate is O=CNCCCOP(=O)(O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate?
The InChIKey is IGWRDWOSTRWFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO7P/c9-4-7(11)5-15-16(12,13)14-3-1-2-8-6-10/h6-7,9,11H,1-5H2,(H,8,10)(H,12,13).
What are the key properties of 2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate?
2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate has a molecular weight of 257.18 g/mol, XLogP of -1.39, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate is sourced from PubChem (CID 144571535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).