[2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate

C10H21O7P — CID 90700540

IUPAC[2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate
SMILESCC(C)OP(=O)(O)OCC(O)COC(=O)C(C)C
InChIInChI=1S/C10H21O7P/c1-7(2)10(12)15-5-9(11)6-16-18(13,14)17-8(3)4/h7-9,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyCOHGOBYOCPSYOD-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.09
Rot. Bonds8

About [2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate

[2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate (PubChem CID 90700540) has the molecular formula C10H21O7P and a molecular weight of 284.25 g/mol. Its IUPAC name is [2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate
PubChem CID90700540
Molecular FormulaC10H21O7P
Molecular Weight284.25 g/mol
Exact Mass284.10
IUPAC Name[2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate
SMILESCC(C)OP(=O)(O)OCC(O)COC(=O)C(C)C
InChIInChI=1S/C10H21O7P/c1-7(2)10(12)15-5-9(11)6-16-18(13,14)17-8(3)4/h7-9,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyCOHGOBYOCPSYOD-UHFFFAOYSA-N
XLogP1.09
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
CID 59083626
[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 153447851
[(2S,3S,4R)-2,3,4-tris(2-methylpropanoyloxy)-5-phosphonooxypentyl] 2-methylpropanoate
CID 162392870
azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate
CID 173449510
[3-[ethenoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 89188019
[(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate
CID 134310018
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
CID 137319661
[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-(2-hydroxy-3-octadecanoyloxypropoxy)phosphoryl]oxypropoxy]phosphoryl]oxypropyl] tetracosanoate
CID 165275592
azane;[2-hydroxy-3-[hydroxy-(2-hydroxy-3-tetradecanoyloxypropoxy)phosphoryl]oxypropyl] tetradecanoate
CID 131675299
(4-methoxy-3-methylbutyl) propan-2-yl hydrogen phosphate
CID 129147562
2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
CID 155766204
propan-2-yl 2-[2-ethylbutoxy(hydroxy)phosphoryl]oxypropanoate
CID 123477427

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate?
The IUPAC name of [2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate (CID 90700540) is [2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate.
What is the SMILES notation for [2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate?
The canonical SMILES for [2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate is CC(C)OP(=O)(O)OCC(O)COC(=O)C(C)C.
What is the InChIKey of [2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate?
The InChIKey is COHGOBYOCPSYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O7P/c1-7(2)10(12)15-5-9(11)6-16-18(13,14)17-8(3)4/h7-9,11H,5-6H2,1-4H3,(H,13,14).
What are the key properties of [2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate?
[2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate has a molecular weight of 284.25 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate is sourced from PubChem (CID 90700540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).