Tributyl O-Acetylcitrate-d3

CAT: 0572-TRC-T772952-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-T772952-50MGSize:50 mg

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CAS Number

1794753-49-3

Synonyms

2-(Acetyloxy-d3)-1,2,3-propanetricarboxylic Acid 1,2,3-Tributyl Ester; Citric Acid Tributyl Ester Acetate-d3; ATBC-d3; Acetyl-d3 Butyl Citrate; Acetyl-d3 Tributyl Citrate; (Acetyl-d3)citric Acid Tributyl Ester; Blo-trol-d3; Citroflex 4A-S-d3; Citroflex A-d3; Citroflex A 4-d3; Citrofol BII-d3; Estaflex ATC-d3; Monocizer ATBC-d3; Morflex ATBC-d3; NSC 3894; Sansocizer ATBC; Tributyl 2-(Acetoxy-d3)-1,2,3-propane-tricarboxylate; Tributyl (Acetyl-d3)citrate; Tributyl Citrate Acetate-d3; ATBC-d3

Hazard Statement

Causes serious eye irritation

Smiles

[2H]C([2H])([2H])C(=O)OC(CC(=O)OCCCC)(CC(=O)OCCCC)C(=O)OCCCC

Molecular Formula

C20D3H31O8

Molecular Weight

405.5

InChI

InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3/i4D3

Additionnal Information

IUPAC name: tributyl 2-(2,2,2-trideuterioacetyl)oxypropane-1,2,3-tricarboxylate

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Tributyl O-Acetylcitrate-d3

CAS Number	1794753-49-3
PubChem CID	71752690
IUPAC Name	tributyl 2-(2,2,2-trideuterioacetyl)oxypropane-1,2,3-tricarboxylate
Molecular Formula	C20H34O8
Molecular Weight	405.5
XLogP	3.3
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	19
Heavy Atom Count	28
Formal Charge	0
Complexity	476

SMILES

[2H]C([2H])([2H])C(=O)OC(CC(=O)OCCCC)(CC(=O)OCCCC)C(=O)OCCCC

InChI

InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3/i4D3

InChIKey

QZCLKYGREBVARF-GKOSEXJESA-N

Chemical Structure

2D Structure

CAS: 1794753-49-3

CID: 71752690

Formula: C20H34O8

MW: 405.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	405.5
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	19
Exact Mass	405.24419828
Monoisotopic Mass	405.24419828
Topological Polar Surface Area	105 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	476
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

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291782-01	Tributyl O-Acetylcitrate
RM-T022100-01	Tributyl Acetylcitrate
RM-T022105-01	Tributyl Acetylcitrate Impurity 5
RM-T022104-01	Tributyl Acetylcitrate Impurity 4
RM-T022101-01	Tributyl Acetylcitrate EP Impurity A
RM-T022103-01	Tributyl Acetylcitrate EP Impurity C
RM-T022102-01	Tributyl Acetylcitrate EP Impurity B
RM-B702001-01	Butyl Acetate; Tributyl Acetylcitrate EP Impurity E
HY-W722456	Tributyl (vinyl-d3) stannane
HY-W010981S-01	Acetyl tributyl citrate-d3

Tributyl O-Acetylcitrate-d3

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