Boc-NH-PEG4-Tos

CAT: 0695-MD068038-4Size: InquireDry Ice: NoHazardous: No

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CAT#:0695-MD068038-4Size:Inquire

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CAS Number

1404111-69-8

Chemical Information

2,2-Dimethyl-4-oxo-3,8,11,14,17-pentaoxa-5-azanonadecan-19-yl 4-methylbenzenesulfonate

CAS Number	1404111-69-8
PubChem CID	89422935
IUPAC Name	2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Molecular Formula	C22H37NO9S
Molecular Weight	491.6
XLogP	1.7
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	19
Heavy Atom Count	33
Formal Charge	0
Complexity	608

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H37NO9S/c1-19-5-7-20(8-6-19)33(25,26)31-18-17-30-16-15-29-14-13-28-12-11-27-10-9-23-21(24)32-22(2,3)4/h5-8H,9-18H2,1-4H3,(H,23,24)

InChIKey

IGDRSFOIOMFTDR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1404111-69-8

CID: 89422935

Formula: C22H37NO9S

MW: 491.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	491.6
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	19
Exact Mass	491.21890293
Monoisotopic Mass	491.21890293
Topological Polar Surface Area	127 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	608
Isotope Atom Count	0
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