2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate

C10H21NO9P- — CID 23592377

IUPAC2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate
SMILESCC(C)(C)OC(=O)ONCCOP(=O)([O-])OCC(O)CO
InChIInChI=1S/C10H22NO9P/c1-10(2,3)19-9(14)20-11-4-5-17-21(15,16)18-7-8(13)6-12/h8,11-13H,4-7H2,1-3H3,(H,15,16)/p-1
InChIKeyJCSQTZGVCQPWON-UHFFFAOYSA-M
MW330.25 g/mol
LogP-0.70
Rot. Bonds9

About 2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate

2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate (PubChem CID 23592377) has the molecular formula C10H21NO9P- and a molecular weight of 330.25 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate
PubChem CID23592377
Molecular FormulaC10H21NO9P-
Molecular Weight330.25 g/mol
Exact Mass330.10
IUPAC Name2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate
SMILESCC(C)(C)OC(=O)ONCCOP(=O)([O-])OCC(O)CO
InChIInChI=1S/C10H22NO9P/c1-10(2,3)19-9(14)20-11-4-5-17-21(15,16)18-7-8(13)6-12/h8,11-13H,4-7H2,1-3H3,(H,15,16)/p-1
InChIKeyJCSQTZGVCQPWON-UHFFFAOYSA-M
XLogP-0.70
TPSA146.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

chloro 2,3-dihydroxypropyl phosphate
CID 22670557
2,3-dihydroxypropyl 2-[[(E)-octadec-9-enoyl]amino]ethyl phosphate
CID 171042162
[(2R)-2,3-dihydroxypropyl] 2-[[(Z)-octadec-9-enoyl]amino]ethyl phosphate
CID 91666406
tert-butyl [2-hydroxy-3-[2-(propanoylamino)ethoxy]propyl] phosphate
CID 158515585
(2S)-2-azaniumyl-3-[[(2R)-2,3-dihydroxypropoxy]-oxidophosphoryl]oxypropanoate
CID 57339260
[(2S)-2,3-dihydroxypropyl] phosphate
CID 7048685
[2,3-dihydroxypropoxy(2,2-dimethylpropanoyloxy)phosphoryl] 2,2-dimethylpropanoate
CID 87133675
[(2S)-2,3-dihydroxypropyl] [(2R)-2-hydroxy-3-octadecanoyloxypropyl] phosphate
CID 71296221
2,3-dihydroxypropyl [(2R)-3-hexadecanoyloxy-2-hydroxypropyl] phosphate
CID 86583415
dipotassium;2,3-dihydroxypropyl phosphate;trihydrate
CID 23617466
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate?
The IUPAC name of 2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate (CID 23592377) is 2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate?
The canonical SMILES for 2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate is CC(C)(C)OC(=O)ONCCOP(=O)([O-])OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate?
The InChIKey is JCSQTZGVCQPWON-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO9P/c1-10(2,3)19-9(14)20-11-4-5-17-21(15,16)18-7-8(13)6-12/h8,11-13H,4-7H2,1-3H3,(H,15,16)/p-1.
What are the key properties of 2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate?
2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate has a molecular weight of 330.25 g/mol, XLogP of -0.70, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-[(2-methylpropan-2-yl)oxycarbonyloxyamino]ethyl phosphate is sourced from PubChem (CID 23592377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).