[3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium

C5H13NO7P2+2 — CID 88562256

IUPAC[3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium
SMILESCN(C)CCC(O)(O[P+](=O)O)O[P+](=O)O
InChIInChI=1S/C5H11NO7P2/c1-6(2)4-3-5(7,12-14(8)9)13-15(10)11/h7H,3-4H2,1-2H3/p+2
InChIKeyLCBNHVWADJHHSX-UHFFFAOYSA-P
MW261.11 g/mol
LogP-0.08
Rot. Bonds7

About [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium

[3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium (PubChem CID 88562256) has the molecular formula C5H13NO7P2+2 and a molecular weight of 261.11 g/mol. Its IUPAC name is [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium
PubChem CID88562256
Molecular FormulaC5H13NO7P2+2
Molecular Weight261.11 g/mol
Exact Mass261.02
IUPAC Name[3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium
SMILESCN(C)CCC(O)(O[P+](=O)O)O[P+](=O)O
InChIInChI=1S/C5H11NO7P2/c1-6(2)4-3-5(7,12-14(8)9)13-15(10)11/h7H,3-4H2,1-2H3/p+2
InChIKeyLCBNHVWADJHHSX-UHFFFAOYSA-P
XLogP-0.08
TPSA116.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol
CID 88768729
3-chloropentan-3-yloxy-hydroxy-oxophosphanium
CID 87677652
4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 54506043
3-(dimethylamino)propane-1,1,1-trisulfonic acid
CID 175235835
N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
CID 89049269
zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate
CID 46918109
[4-[(4-aminobenzoyl)amino]-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxybutoxy]-hydroxy-oxophosphanium
CID 121329854
2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium
CID 90261772
[4-amino-1-chloro-1-[hydroxy(oxo)phosphaniumyl]oxybutoxy]-hydroxy-oxophosphanium
CID 89061320
[4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate
CID 139716915

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium?
The IUPAC name of [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium (CID 88562256) is [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium is CN(C)CCC(O)(O[P+](=O)O)O[P+](=O)O.
What is the InChIKey of [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium?
The InChIKey is LCBNHVWADJHHSX-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H11NO7P2/c1-6(2)4-3-5(7,12-14(8)9)13-15(10)11/h7H,3-4H2,1-2H3/p+2.
What are the key properties of [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium?
[3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium has a molecular weight of 261.11 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 88562256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).