[2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate

C12H20O9 — CID 76972802

IUPAC[2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)OCC(COC(=O)[C@H](C)O)OC(=O)[C@@H](C)O
InChIInChI=1S/C12H20O9/c1-6(13)10(16)19-4-9(21-12(18)8(3)15)5-20-11(17)7(2)14/h6-9,13-15H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKeyQFZKSWMAYXNSEJ-BIIVOSGPSA-N
MW308.28 g/mol
LogP-1.87
Rot. Bonds8

About [2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate

[2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate (PubChem CID 76972802) has the molecular formula C12H20O9 and a molecular weight of 308.28 g/mol. Its IUPAC name is [2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Name[2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate
PubChem CID76972802
Molecular FormulaC12H20O9
Molecular Weight308.28 g/mol
Exact Mass308.11
IUPAC Name[2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)OCC(COC(=O)[C@H](C)O)OC(=O)[C@@H](C)O
InChIInChI=1S/C12H20O9/c1-6(13)10(16)19-4-9(21-12(18)8(3)15)5-20-11(17)7(2)14/h6-9,13-15H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKeyQFZKSWMAYXNSEJ-BIIVOSGPSA-N
XLogP-1.87
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

2,3-bis[[(2S)-2-hydroxypropanoyl]oxy]propyl hexadecanoate
CID 168851037
2-[2-[2-(2-hydroxypropanoyloxy)propoxy]propoxy]propyl 2-hydroxypropanoate
CID 87122386
2,2-dimethoxyethyl 2-hydroxypropanoate
CID 151767875
[3-methoxy-2-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
CID 87948825
2,3-bis(2-methyltricosanoyloxy)propyl 2-methyltricosanoate
CID 23526471
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
1-chloroethyl 2-hydroxypropanoate
CID 151805922
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] 2-hydroxypropanoate
CID 54017889
(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
CID 19788816
2,3-di(octadecanoyloxy)propyl octadecanoate;pentyl 2-hydroxypropanoate
CID 174904090

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate?
The IUPAC name of [2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate (CID 76972802) is [2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate.
What is the SMILES notation for [2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate?
The canonical SMILES for [2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate is C[C@H](O)C(=O)OCC(COC(=O)[C@H](C)O)OC(=O)[C@@H](C)O.
What is the InChIKey of [2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate?
The InChIKey is QFZKSWMAYXNSEJ-BIIVOSGPSA-N. The full InChI is InChI=1S/C12H20O9/c1-6(13)10(16)19-4-9(21-12(18)8(3)15)5-20-11(17)7(2)14/h6-9,13-15H,4-5H2,1-3H3/t6-,7-,8+/m0/s1.
What are the key properties of [2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate?
[2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate has a molecular weight of 308.28 g/mol, XLogP of -1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate is sourced from PubChem (CID 76972802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).