trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate

C18H48O10P2Si5 — CID 22214345

IUPACtrimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate
SMILESC[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H48O10P2Si5/c1-31(2,3)24-18(19)17(23-30(21,27-34(10,11)12)28-35(13,14)15)16-22-29(20,25-32(4,5)6)26-33(7,8)9/h17H,16H2,1-15H3/t17-/m1/s1
InChIKeyBNPQYLOELZIDSW-QGZVFWFLSA-N
MW626.95 g/mol
LogP7.39
Rot. Bonds15

About trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate

trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate (PubChem CID 22214345) has the molecular formula C18H48O10P2Si5 and a molecular weight of 626.95 g/mol. Its IUPAC name is trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate.

Molecular Properties

Compound Nametrimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate
PubChem CID22214345
Molecular FormulaC18H48O10P2Si5
Molecular Weight626.95 g/mol
Exact Mass626.16
IUPAC Nametrimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate
SMILESC[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H48O10P2Si5/c1-31(2,3)24-18(19)17(23-30(21,27-34(10,11)12)28-35(13,14)15)16-22-29(20,25-32(4,5)6)26-33(7,8)9/h17H,16H2,1-15H3/t17-/m1/s1
InChIKeyBNPQYLOELZIDSW-QGZVFWFLSA-N
XLogP7.39
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.95
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate?
The IUPAC name of trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate (CID 22214345) is trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate.
What is the SMILES notation for trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate?
The canonical SMILES for trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate is C[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate?
The InChIKey is BNPQYLOELZIDSW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H48O10P2Si5/c1-31(2,3)24-18(19)17(23-30(21,27-34(10,11)12)28-35(13,14)15)16-22-29(20,25-32(4,5)6)26-33(7,8)9/h17H,16H2,1-15H3/t17-/m1/s1.
What are the key properties of trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate?
trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate has a molecular weight of 626.95 g/mol, XLogP of 7.39, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2R)-2,3-bis[bis(trimethylsilyloxy)phosphoryloxy]propanoate is sourced from PubChem (CID 22214345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).