CID 173204906

H4BNO4P — CID 173204906

IUPAC—
SMILESN.O=P1(O)O[B]O1
InChIInChI=1S/BHO4P.H3N/c2-6(3)4-1-5-6;/h(H,2,3);1H3
InChIKeyAFHNQTRDUMAOEH-UHFFFAOYSA-N
MW123.82 g/mol
LogP-0.17
Rot. Bonds

About CID 173204906

CID 173204906 (PubChem CID 173204906) has the molecular formula H4BNO4P and a molecular weight of 123.82 g/mol.

Molecular Properties

Compound NameCID 173204906
PubChem CID173204906
Molecular FormulaH4BNO4P
Molecular Weight123.82 g/mol
Exact Mass124.00
IUPAC Name—
SMILESN.O=P1(O)O[B]O1
InChIInChI=1S/BHO4P.H3N/c2-6(3)4-1-5-6;/h(H,2,3);1H3
InChIKeyAFHNQTRDUMAOEH-UHFFFAOYSA-N
XLogP-0.17
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.82
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 173087948
CID 173087948
disodium;hydride;5-hydroxy-1,2,3,4,5λ5-tetraoxaphospholane 5-oxide
CID 173145201
methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 174239066
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
2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
CID 18459455
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
2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide
CID 18697532
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide
CID 88624800
5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide
CID 174352954

Frequently Asked Questions

What is the IUPAC name of CID 173204906?
The IUPAC name of CID 173204906 (CID 173204906) is not available.
What is the SMILES notation for CID 173204906?
The canonical SMILES for CID 173204906 is N.O=P1(O)O[B]O1.
What is the InChIKey of CID 173204906?
The InChIKey is AFHNQTRDUMAOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/BHO4P.H3N/c2-6(3)4-1-5-6;/h(H,2,3);1H3.
What are the key properties of CID 173204906?
CID 173204906 has a molecular weight of 123.82 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173204906 is sourced from PubChem (CID 173204906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).