DOPE-Mal

CAT: 0127-OR1005379Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1005379Size:1 Each

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

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CAS Number

2295813-15-7

Purity

98%

Smiles

C(CC(NCCOP(OC[C@@H](COC(CCCCCCC/C=CCCCCCCCC)=O)OC(CCCCCCC/C=CCCCCCCCC)=O)(=O)O)=O)N1C(=O)C=CC1=O

Chemical Information

Dope-mal

CAS Number	2295813-15-7
PubChem CID	137553911
IUPAC Name	[(2R)-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Molecular Formula	C48H83N2O11P
Molecular Weight	895.2
XLogP	12.3
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	45
Heavy Atom Count	62
Formal Charge	0
Complexity	1330

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCN1C(=O)C=CC1=O)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C48H83N2O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-47(54)58-41-43(61-48(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42-60-62(56,57)59-40-38-49-44(51)37-39-50-45(52)35-36-46(50)53/h17-20,35-36,43H,3-16,21-34,37-42H2,1-2H3,(H,49,51)(H,56,57)/b19-17-,20-18-/t43-/m1/s1

InChIKey

LCNRIZXWHOCCGU-OYJIOEIKSA-N

Chemical Structure

2D Structure

CAS: 2295813-15-7

CID: 137553911

Formula: C48H83N2O11P

MW: 895.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	895.2
XLogP3	12.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	45
Exact Mass	894.57344847
Monoisotopic Mass	894.57344847
Topological Polar Surface Area	175 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1330
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MPL0049K	DOPE-MAL
LP100022-2K	DOPE-PEG-Mal, 2K
LP100022-5K	DOPE-PEG-Mal, 5K
LP100022-1K	DOPE-PEG-Mal, 1K
TCL-00996-01	DOPE-PEG-Mal (MW 3400)
HY-W440994	DOPE-PEG-Mal (MW 1000)
LP100022-3.4K	DOPE-PEG-Mal, 3.4K
GTR19256578-01	DOPE-PEG-Mal (MW 5000)
HY-W440995-01	DOPE-PEG-Mal (MW 2000)
MPL0033K	DOPE-PEG-MAL 18:1

DOPE-Mal

Chemical Information

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