18:0 (9,10dibromo) PC

CAT: 0931-TCL-00119-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-TCL-00119-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

217075-01-9

Bioactivity

18:0 (9,10dibromo) PC is a reagent used in biochemical reactions.

Smiles

C[N+](C)(C)CCOP(OC[C@H](OC(CCCCCCCC(Br)C(Br)CCCCCCCC)=O)COC(CCCCCCCC(Br)C(Br)CCCCCCCC)=O)([O-])=O

Molecular Formula

C44H84Br4NO8P

Molecular Weight

1105.73

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

1,2-Di-(9,10-dibromo)stearoyl-sn-glycero-3-phosphocholine

CAS Number	217075-01-9
PubChem CID	131876071
IUPAC Name	[(2R)-2,3-bis(9,10-dibromooctadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula	C44H84Br4NO8P
Molecular Weight	1105.7
XLogP	15.3
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	44
Heavy Atom Count	58
Formal Charge	0
Complexity	1030

SMILES

CCCCCCCCC(C(CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br)Br)Br

InChI

InChI=1S/C44H84Br4NO8P/c1-6-8-10-12-16-22-28-39(45)41(47)30-24-18-14-20-26-32-43(50)54-36-38(37-56-58(52,53)55-35-34-49(3,4)5)57-44(51)33-27-21-15-19-25-31-42(48)40(46)29-23-17-13-11-9-7-2/h38-42H,6-37H2,1-5H3/t38-,39?,40?,41?,42?/m1/s1

InChIKey

YUUHMVDKYQRXLY-RQTMENPMSA-N

Chemical Structure

2D Structure

CAS: 217075-01-9

CID: 131876071

Formula: C44H84Br4NO8P

MW: 1105.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1105.7
XLogP3	15.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	44
Exact Mass	1105.26271
Monoisotopic Mass	1101.26681
Topological Polar Surface Area	111 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1030
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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18:0 (9,10dibromo) PC

Chemical Information

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