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K252b

CAT: 0498-bs-6839C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6839C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99570-78-2
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
C[C@]12O[C@H](C[C@]1(O)C(O)=O)N1C3=C4C(=C5CNC(=O)C5=C3C3=CC=CC=C13)C1=CC=CC=C1N24
Molecular Formula
C26 H19 N3 O5
Molecular Weight
453.45
InChI
InChI=1S/C26H19N3O5/c1-25-26 (33,24 (31) 32) 10-17 (34-25) 28-15-8-4-2-6-12 (15) 19-20-14 (11-27-23 (20) 30) 18-13-7-3-5-9-16 (13) 29 (25) 22 (18) 21 (19) 28/h2-9,17,33H,10-11H2,1H3, (H,27,30) (H,31,32) /t17-,25+,26+/m1/s1
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

K-252b

K-252b is an indolocarbazole.

CAS Number99570-78-2
PubChem CID9981344
IUPAC Name(15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid
Molecular FormulaC26H19N3O5
Molecular Weight453.4
XLogP2.4
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity961
SMILES
C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)O)O
InChI
InChI=1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17-,25+,26+/m1/s1
InChIKey
AMSOPBXQXSAAAC-PLZPTFKGSA-N
Chemical Structure
2D Structure
2D structure of K-252b
CAS: 99570-78-2
CID: 9981344
Formula: C26H19N3O5
MW: 453.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight453.4
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass453.13247072
Monoisotopic Mass453.13247072
Topological Polar Surface Area106 Ų
Heavy Atom Count34
Formal Charge0
Complexity961
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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