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L-Selectin

CAT: 0013-GTR19153325-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153325-02Size:2 mg
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Description
L-Selectin (CAS number: 126880-86-2) is a compound with a molecular weight of 1427.74 Da and a purity of ≥95%.
CAS Number
126880-86-2
Field of Research
Immunology & Inflammation
Purity
≥95%
Smiles
[H]N[C@@H] (CS) C (=O) N[C@@H] (CCC (N) =O) C (=O) N[C@@H] (CCCCN) C (=O) N[C@@H] (CC (C) C) C (=O) N[C@@H] (CC (O) =O) C (=O) N[C@@H] (CCCCN) C (=O) N[C@@H] (CO) C (=O) N[C@@H] (CC1=CC=CC=C1) C (=O) N[C@@H] (CO) C (=O) N[C@@H] (CCSC) C (=O) N[C@@H] ([C@@H] (C) CC) C (=O) N[C@@H] (CCCCN) C (O) =O
Molecular Formula
C62H105N16O18S2
Molecular Weight
1427.74
Storage Conditions
Storage Temp: -20°C
Notes
For research use only.

Chemical Information

L-Selectin
CAS Number126880-86-2
PubChem CID176418165
IUPAC Name(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid
Molecular FormulaC62H106N16O18S2
Molecular Weight1427.7
XLogP-8.1
Topological Polar Surface Area609
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count24
Rotatable Bond Count52
Heavy Atom Count98
Formal Charge0
Complexity2580
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)N
InChI
InChI=1S/C62H106N16O18S2/c1-6-35(4)50(61(94)72-42(62(95)96)20-12-15-26-65)78-55(88)41(23-27-98-5)71-59(92)46(31-79)77-57(90)44(29-36-16-8-7-9-17-36)74-60(93)47(32-80)76-53(86)39(19-11-14-25-64)70-58(91)45(30-49(82)83)75-56(89)43(28-34(2)3)73-52(85)38(18-10-13-24-63)69-54(87)40(21-22-48(67)81)68-51(84)37(66)33-97/h7-9,16-17,34-35,37-47,50,79-80,97H,6,10-15,18-33,63-66H2,1-5H3,(H2,67,81)(H,68,84)(H,69,87)(H,70,91)(H,71,92)(H,72,94)(H,73,85)(H,74,93)(H,75,89)(H,76,86)(H,77,90)(H,78,88)(H,82,83)(H,95,96)/t35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-/m0/s1
InChIKey
DXLMNZGNAODYII-NTOAFIDWSA-N
Chemical Structure
2D Structure
2D structure of L-Selectin
CAS: 126880-86-2
CID: 176418165
Formula: C62H106N16O18S2
MW: 1427.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1427.7
XLogP3-8.1
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count24
Rotatable Bond Count52
Exact Mass1426.73124294
Monoisotopic Mass1426.73124294
Topological Polar Surface Area609 Ų
Heavy Atom Count98
Formal Charge0
Complexity2580
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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