CID 173087948

H2BO7P2 — CID 173087948

IUPAC—
SMILESO=P1(O)O[B]OP(=O)(O)O1
InChIInChI=1S/BH2O7P2/c2-9(3)6-1-7-10(4,5)8-9/h(H,2,3)(H,4,5)
InChIKeyXAIAJQRRZWQQJO-UHFFFAOYSA-N
MW186.77 g/mol
LogP-0.22
Rot. Bonds

About CID 173087948

CID 173087948 (PubChem CID 173087948) has the molecular formula H2BO7P2 and a molecular weight of 186.77 g/mol.

Molecular Properties

Compound NameCID 173087948
PubChem CID173087948
Molecular FormulaH2BO7P2
Molecular Weight186.77 g/mol
Exact Mass186.94
IUPAC Name—
SMILESO=P1(O)O[B]OP(=O)(O)O1
InChIInChI=1S/BH2O7P2/c2-9(3)6-1-7-10(4,5)8-9/h(H,2,3)(H,4,5)
InChIKeyXAIAJQRRZWQQJO-UHFFFAOYSA-N
XLogP-0.22
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.77
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 173087948 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

CID 173204906
CID 173204906
methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 174239066
4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecan-2-amine
CID 23036017
O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine
CID 173394555
disodium;hydride;5-hydroxy-1,2,3,4,5λ5-tetraoxaphospholane 5-oxide
CID 173145201
4,6,11,13,18,20-hexahydroxy-20-methylidene-3,5,7,10,12,14,17,19,21-nonaoxa-4λ5,6λ5,11λ5,13λ5,18λ5,20λ5-hexaphosphatetracyclo[14.5.0.02,8.09,15]henicosane 4,6,11,13,18-pentaoxide
CID 118227607
2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide
CID 141425610
2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
CID 172770499
1,2,3,4,5,6-hexahydroxy-1λ5,2λ5,3λ5,4λ5,5λ5,6λ5-hexaphosphinane 1,2,3,4,5,6-hexaoxide
CID 71369580
3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide
CID 151672634
(E)-2-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxy]but-2-enoic acid
CID 139906485
carbamoylazanium
CID 59101662

Frequently Asked Questions

What is the IUPAC name of CID 173087948?
The IUPAC name of CID 173087948 (CID 173087948) is not available.
What is the SMILES notation for CID 173087948?
The canonical SMILES for CID 173087948 is O=P1(O)O[B]OP(=O)(O)O1.
What is the InChIKey of CID 173087948?
The InChIKey is XAIAJQRRZWQQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2O7P2/c2-9(3)6-1-7-10(4,5)8-9/h(H,2,3)(H,4,5).
What are the key properties of CID 173087948?
CID 173087948 has a molecular weight of 186.77 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173087948 is sourced from PubChem (CID 173087948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).