(3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate

C6H10O10P2-4 — CID 24916915

IUPAC(3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate
SMILESC[C@@](O)(CCOP(=O)([O-])OP(=O)([O-])[O-])CC(=O)[O-]
InChIInChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/p-4/t6-/m1/s1
InChIKeySIGQQUBJQXSAMW-ZCFIWIBFSA-J
MW304.08 g/mol
LogP-3.40
Rot. Bonds8

About (3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate

(3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate (PubChem CID 24916915) has the molecular formula C6H10O10P2-4 and a molecular weight of 304.08 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate
PubChem CID24916915
Molecular FormulaC6H10O10P2-4
Molecular Weight304.08 g/mol
Exact Mass303.98
IUPAC Name(3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate
SMILESC[C@@](O)(CCOP(=O)([O-])OP(=O)([O-])[O-])CC(=O)[O-]
InChIInChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/p-4/t6-/m1/s1
InChIKeySIGQQUBJQXSAMW-ZCFIWIBFSA-J
XLogP-3.40
TPSA182.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 5-3.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate?
The IUPAC name of (3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate (CID 24916915) is (3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate.
What is the SMILES notation for (3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate?
The canonical SMILES for (3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate is C[C@@](O)(CCOP(=O)([O-])OP(=O)([O-])[O-])CC(=O)[O-].
What is the InChIKey of (3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate?
The InChIKey is SIGQQUBJQXSAMW-ZCFIWIBFSA-J. The full InChI is InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/p-4/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate?
(3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate has a molecular weight of 304.08 g/mol, XLogP of -3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-methyl-5-[oxido(phosphonatooxy)phosphoryl]oxypentanoate is sourced from PubChem (CID 24916915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).