[cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate

C9H17O7P — CID 174729728

IUPAC[cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate
SMILESC[C@@](O)(CCO)CC(=O)OP(=O)(O)OC1CC1
InChIInChI=1S/C9H17O7P/c1-9(12,4-5-10)6-8(11)16-17(13,14)15-7-2-3-7/h7,10,12H,2-6H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyBDLPHTQHPDPDMU-SECBINFHSA-N
MW268.20 g/mol
LogP0.33
Rot. Bonds7

About [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate

[cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate (PubChem CID 174729728) has the molecular formula C9H17O7P and a molecular weight of 268.20 g/mol. Its IUPAC name is [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate.

Molecular Properties

Compound Name[cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate
PubChem CID174729728
Molecular FormulaC9H17O7P
Molecular Weight268.20 g/mol
Exact Mass268.07
IUPAC Name[cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate
SMILESC[C@@](O)(CCO)CC(=O)OP(=O)(O)OC1CC1
InChIInChI=1S/C9H17O7P/c1-9(12,4-5-10)6-8(11)16-17(13,14)15-7-2-3-7/h7,10,12H,2-6H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyBDLPHTQHPDPDMU-SECBINFHSA-N
XLogP0.33
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide
CID 87266925
3,5-dihydroxy-3-methylpentanoic acid;ethene
CID 174870453
acetic acid;3,5-dihydroxy-3-methylpentanoic acid
CID 175134746
(4S)-1-bromo-4,6-dihydroxy-4-methylhexan-2-one
CID 14831813
ethyl 3-hydroxy-5-methoxy-3-methylpentanoate
CID 62393447
3,5-dihydroxy-3-methylpentanoate;tetramethylazanium
CID 175459408
(4-methylcyclohexyl) 4-amino-3-hydroxy-3-methylbutanoate
CID 66002585
cyclopropyloxy(2-oxopropanoyl)phosphinic acid
CID 87671920
(3R)-3,5-dimethylhex-5-ene-1,3-diol
CID 14831815
cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66002192
4-dicyclopropyloxyphosphorylbutan-1-ol
CID 87672740
ethyl 3-hydroxy-3,6-dimethylheptanoate
CID 62395041

Frequently Asked Questions

What is the IUPAC name of [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate?
The IUPAC name of [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate (CID 174729728) is [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate.
What is the SMILES notation for [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate?
The canonical SMILES for [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate is C[C@@](O)(CCO)CC(=O)OP(=O)(O)OC1CC1.
What is the InChIKey of [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate?
The InChIKey is BDLPHTQHPDPDMU-SECBINFHSA-N. The full InChI is InChI=1S/C9H17O7P/c1-9(12,4-5-10)6-8(11)16-17(13,14)15-7-2-3-7/h7,10,12H,2-6H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate?
[cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate has a molecular weight of 268.20 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyloxy(hydroxy)phosphoryl] (3R)-3,5-dihydroxy-3-methylpentanoate is sourced from PubChem (CID 174729728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).