CID 174148134

C11H23BO7P2S — CID 174148134

IUPAC—
SMILES[B][C@@H]1C[C@H](CCP(=O)(O)OC)[C@@H](OP(O)(=S)OCC)[C@H]1OC
InChIInChI=1S/C11H23BO7P2S/c1-4-18-21(15,22)19-10-8(5-6-20(13,14)17-3)7-9(12)11(10)16-2/h8-11H,4-7H2,1-3H3,(H,13,14)(H,15,22)/t8-,9+,10+,11-,21?/m0/s1
InChIKeyMREDDQDLMIGKFW-RETDTWDXSA-N
MW372.13 g/mol
LogP1.84
Rot. Bonds9

About CID 174148134

CID 174148134 (PubChem CID 174148134) has the molecular formula C11H23BO7P2S and a molecular weight of 372.13 g/mol.

Molecular Properties

Compound NameCID 174148134
PubChem CID174148134
Molecular FormulaC11H23BO7P2S
Molecular Weight372.13 g/mol
Exact Mass372.07
IUPAC Name—
SMILES[B][C@@H]1C[C@H](CCP(=O)(O)OC)[C@@H](OP(O)(=S)OCC)[C@H]1OC
InChIInChI=1S/C11H23BO7P2S/c1-4-18-21(15,22)19-10-8(5-6-20(13,14)17-3)7-9(12)11(10)16-2/h8-11H,4-7H2,1-3H3,(H,13,14)(H,15,22)/t8-,9+,10+,11-,21?/m0/s1
InChIKeyMREDDQDLMIGKFW-RETDTWDXSA-N
XLogP1.84
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 174148134 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

2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid
CID 170364552
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
CID 174148102
CID 174148102
decyl(methoxy)phosphinic acid
CID 54568982
2-[(1R,2R,3S,4S)-2-[hydroxy(propan-2-yloxy)phosphoryl]oxy-3-methoxy-4-methylcyclopentyl]ethylphosphonic acid
CID 170364515
CID 91175686
CID 91175686
N-[(1S,2R,4R)-3-[hydroxy(methoxy)phosphinothioyl]oxy-2-methoxy-4-(methoxymethyl)cyclopentyl]ethanethioamide
CID 174088307
N-[(1R,2R,4R)-3-[hydroxy(methoxy)phosphinothioyl]oxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide
CID 168847371
methoxy(methoxymethyl)phosphinic acid
CID 54547216
CID 158919548
CID 158919548
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
1-[(1R,2R,4R)-3-[hydroxy(methoxy)phosphinothioyl]oxy-2-methoxy-4-(methoxymethyl)cyclopentyl]-3-methylthiourea
CID 174088302

Frequently Asked Questions

What is the IUPAC name of CID 174148134?
The IUPAC name of CID 174148134 (CID 174148134) is not available.
What is the SMILES notation for CID 174148134?
The canonical SMILES for CID 174148134 is [B][C@@H]1C[C@H](CCP(=O)(O)OC)[C@@H](OP(O)(=S)OCC)[C@H]1OC.
What is the InChIKey of CID 174148134?
The InChIKey is MREDDQDLMIGKFW-RETDTWDXSA-N. The full InChI is InChI=1S/C11H23BO7P2S/c1-4-18-21(15,22)19-10-8(5-6-20(13,14)17-3)7-9(12)11(10)16-2/h8-11H,4-7H2,1-3H3,(H,13,14)(H,15,22)/t8-,9+,10+,11-,21?/m0/s1.
What are the key properties of CID 174148134?
CID 174148134 has a molecular weight of 372.13 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174148134 is sourced from PubChem (CID 174148134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).