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Molecule
ID:106251
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
H₃O₄P
Molecular Mass
97.995181
Exact Mass
97.97689521
Charge
0
InChI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKey
NBIIXXVUZAFLBC-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(O)O
Isomeric Smiles
OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.7961261
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.3916447
LogD (pH = 7.4)
-3.9718332
Log P
-1.0201038
Molar Refractivity
14.6519
Polarizability
6.520383
Polar Surface Area
77.76
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Related Proteins
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
02521390
Sigma Aldrich
176753
Academic Data
PubChem
3084191
Names and Identifiers
Synonyms
PHOSPHORIC ACID-D
3
三氘代磷酸
Trideuterophosphoric acid
磷酸-d3 溶液
Phosphoric acid-d3 solution
IUPAC name
(
2
H
3
)phosphoric acid
IUPAC Traditional name
(
2
H
3
)phosphoric acid
Registration numbers
CAS Number
14335-33-2
PubChem CID
3084191
PubChem SID
162094246
24850598
MDL Number
MFCD00044235
Molecule Details
MP Biomedicals
02521390
(85% in D
2
O)
D
3
PO
4
Purity: 99% D atom.
Sigma Aldrich
176753
Packaging
10, 50, 100 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Safety Information
MSDS Link
Download link
Source
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Source
GHS Hazard statements
H314
Source
Packing Group
3
Source
Hazard Class
8
Source
GHS Pictograms
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
RID/ADR
UN 1805 8/PG 3
Source
Risk Statements
34
Source
German water hazard class
3
Source
GHS Precautionary statements
P280
-
P305+P351+P338
-
P310
Source
Safety Statements
26
-
45
Source
UN Number
1805
Source
GHS Signal Word
Danger
Source
European Hazard Symbols
Corrosive (C)
Source
Product Information
Certificate of Analysis
Download link
Source
Purity
99%
Source
Concentration
85 wt. % in D2O
Source
Linear Formula
D3PO4
Source
Mol. Weight
mol wt 100.95 by atom % calculation
Source
98 atom % D
Source
Physical Property
Melting Point
41-44 °C(lit.)
Source
Density
1.736 g/mL at 25 °C
Source
Boiling Point
158 °C/760 mmHg(lit.)
Source
Mass Shift
M+3
Source
Refractive Index
n20/D 1.427(lit.)
Source
Isotopic Purity