bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate

C9H15O9P — CID 171569481

IUPACbis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)OP(OC(=O)[C@H](C)O)OC(=O)[C@H](C)O
InChIInChI=1S/C9H15O9P/c1-4(10)7(13)16-19(17-8(14)5(2)11)18-9(15)6(3)12/h4-6,10-12H,1-3H3/t4-,5-,6-/m0/s1
InChIKeyOUKXRWKIPHRNBJ-ZLUOBGJFSA-N
MW298.18 g/mol
LogP-1.01
Rot. Bonds6

About bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate

bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate (PubChem CID 171569481) has the molecular formula C9H15O9P and a molecular weight of 298.18 g/mol. Its IUPAC name is bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Namebis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate
PubChem CID171569481
Molecular FormulaC9H15O9P
Molecular Weight298.18 g/mol
Exact Mass298.05
IUPAC Namebis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)OP(OC(=O)[C@H](C)O)OC(=O)[C@H](C)O
InChIInChI=1S/C9H15O9P/c1-4(10)7(13)16-19(17-8(14)5(2)11)18-9(15)6(3)12/h4-6,10-12H,1-3H3/t4-,5-,6-/m0/s1
InChIKeyOUKXRWKIPHRNBJ-ZLUOBGJFSA-N
XLogP-1.01
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
[bis(1-hydroxyethyl)amino] 2-hydroxypropanoate
CID 87220172
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
trimethylplumbyl 2-hydroxypropanoate
CID 16683262
calcium;amino 2-hydroxypropanoate;hydride
CID 173433057
2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate
CID 174880543
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
1-chloroethyl 2-hydroxypropanoate
CID 151805922
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297

Frequently Asked Questions

What is the IUPAC name of bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate?
The IUPAC name of bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate (CID 171569481) is bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate.
What is the SMILES notation for bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate?
The canonical SMILES for bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate is C[C@H](O)C(=O)OP(OC(=O)[C@H](C)O)OC(=O)[C@H](C)O.
What is the InChIKey of bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate?
The InChIKey is OUKXRWKIPHRNBJ-ZLUOBGJFSA-N. The full InChI is InChI=1S/C9H15O9P/c1-4(10)7(13)16-19(17-8(14)5(2)11)18-9(15)6(3)12/h4-6,10-12H,1-3H3/t4-,5-,6-/m0/s1.
What are the key properties of bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate?
bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate has a molecular weight of 298.18 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate is sourced from PubChem (CID 171569481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).