azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate

C6H16Br2NO4P — CID 173449510

IUPACazane;2,3-dibromopropyl propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OCC(Br)CBr.N
InChIInChI=1S/C6H13Br2O4P.H3N/c1-5(2)12-13(9,10)11-4-6(8)3-7;/h5-6H,3-4H2,1-2H3,(H,9,10);1H3
InChIKeyWVUKDOJVRZHFQC-UHFFFAOYSA-N
MW356.98 g/mol
LogP2.85
Rot. Bonds6

About azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate

azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate (PubChem CID 173449510) has the molecular formula C6H16Br2NO4P and a molecular weight of 356.98 g/mol. Its IUPAC name is azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate.

Molecular Properties

Compound Nameazane;2,3-dibromopropyl propan-2-yl hydrogen phosphate
PubChem CID173449510
Molecular FormulaC6H16Br2NO4P
Molecular Weight356.98 g/mol
Exact Mass354.92
IUPAC Nameazane;2,3-dibromopropyl propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OCC(Br)CBr.N
InChIInChI=1S/C6H13Br2O4P.H3N/c1-5(2)12-13(9,10)11-4-6(8)3-7;/h5-6H,3-4H2,1-2H3,(H,9,10);1H3
InChIKeyWVUKDOJVRZHFQC-UHFFFAOYSA-N
XLogP2.85
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.98
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 131878530
CID 131878530
tris[(2R)-2,3-dibromopropyl] phosphate
CID 76964191
bis[(2R)-2,3-dibromopropyl] [(2S)-2,3-dibromopropyl] phosphate
CID 76964192
[(2R)-2,3-dibromopropyl] bis[(2S)-2,3-dibromopropyl] phosphate
CID 25021510
sodium 2,3-dibromopropyl hydrogen phosphate
CID 23705153
2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid
CID 88814489
magnesium 2,3-dibromopropyl hydrogen phosphate
CID 21124047
[2-hydroxy-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropyl] 2-methylpropanoate
CID 90700540
1,2-dibromo-3-[1,2-dibromoethyl(2,3-dibromopropoxy)phosphoryl]oxypropane
CID 54507285
(4-methoxy-3-methylbutyl) propan-2-yl hydrogen phosphate
CID 129147562
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486

Frequently Asked Questions

What is the IUPAC name of azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate?
The IUPAC name of azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate (CID 173449510) is azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate.
What is the SMILES notation for azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate?
The canonical SMILES for azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate is CC(C)OP(=O)(O)OCC(Br)CBr.N.
What is the InChIKey of azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate?
The InChIKey is WVUKDOJVRZHFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Br2O4P.H3N/c1-5(2)12-13(9,10)11-4-6(8)3-7;/h5-6H,3-4H2,1-2H3,(H,9,10);1H3.
What are the key properties of azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate?
azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate has a molecular weight of 356.98 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate is sourced from PubChem (CID 173449510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).