CID 130206263

C4H14N4O7P2 — CID 130206263

IUPAC—
SMILESNCCCC(O)(P(=O)(O)O)P(=O)(O)O.[N-]=[N+]=N
InChIInChI=1S/C4H13NO7P2.HN3/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;1-3-2/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);1H
InChIKeyYYJKAQVTZDNTLN-UHFFFAOYSA-N
MW292.13 g/mol
LogP-0.40
Rot. Bonds5

About CID 130206263

CID 130206263 (PubChem CID 130206263) has the molecular formula C4H14N4O7P2 and a molecular weight of 292.13 g/mol.

Molecular Properties

Compound NameCID 130206263
PubChem CID130206263
Molecular FormulaC4H14N4O7P2
Molecular Weight292.13 g/mol
Exact Mass292.03
IUPAC Name—
SMILESNCCCC(O)(P(=O)(O)O)P(=O)(O)O.[N-]=[N+]=N
InChIInChI=1S/C4H13NO7P2.HN3/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;1-3-2/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);1H
InChIKeyYYJKAQVTZDNTLN-UHFFFAOYSA-N
XLogP-0.40
TPSA221.56 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Alendronic Acid
CID 2088
Alendronate sodium anhydrous
CID 16760285
(4-Azaniumyl-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate
CID 44400013
Alendronate(1-)
CID 17684448
Alendronic acid monohydrate
CID 15585620
4-Amino-1-hydroxybutane-1,1-diyldiphosphonate
CID 5459353
Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, conjugate acid
CID 5276556
[4-Azaniumyl-1-hydroxy-1-[hydroxy(oxido)phosphoryl]butyl]-hydroxyphosphinate
CID 10131134
(4-Amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;technetium-99
CID 450356
(4-Amino-1-phosphono-1-tritiooxybutyl)phosphonic acid
CID 91402627
(4-Amino-1-hydroxy-1-phosphonatobutyl)phosphonic acid
CID 136700193
Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt
CID 9816926

Frequently Asked Questions

What is the IUPAC name of CID 130206263?
The IUPAC name of CID 130206263 (CID 130206263) is not available.
What is the SMILES notation for CID 130206263?
The canonical SMILES for CID 130206263 is NCCCC(O)(P(=O)(O)O)P(=O)(O)O.[N-]=[N+]=N.
What is the InChIKey of CID 130206263?
The InChIKey is YYJKAQVTZDNTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO7P2.HN3/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;1-3-2/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);1H.
What are the key properties of CID 130206263?
CID 130206263 has a molecular weight of 292.13 g/mol, XLogP of -0.40, 5 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 130206263 is sourced from PubChem (CID 130206263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).