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BODIPY-Cholesterol

CAT: 0607-C8201-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C8201-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
878557-19-8
Form
A solid
Molecular Formula
C36H51BF2N2O
Molecular Weight
576.61
Shipping Conditions
Blue ice
Storage Conditions
-20°C, protect from light.

Chemical Information

BODIPY-cholesterol
CAS Number878557-19-8
PubChem CID11642697
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC36H51BF2N2O
Molecular Weight576.6
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count42
Formal Charge0
Complexity1240
SMILES
[B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)CC[C@@H](C)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC=C7[C@@]6(CC[C@@H](C7)O)C)C)C)C)(F)F
InChI
InChI=1S/C36H51BF2N2O/c1-21(8-10-29-33-22(2)18-24(4)40(33)37(38,39)41-25(5)19-23(3)34(29)41)30-12-13-31-28-11-9-26-20-27(42)14-16-35(26,6)32(28)15-17-36(30,31)7/h9,18-19,21,27-28,30-32,42H,8,10-17,20H2,1-7H3/t21-,27+,28+,30-,31+,32+,35+,36-/m1/s1
InChIKey
CFFWELDLDWZNRO-ZVEUZXBYSA-N
Chemical Structure
2D Structure
2D structure of BODIPY-cholesterol
CAS: 878557-19-8
CID: 11642697
Formula: C36H51BF2N2O
MW: 576.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass576.4062507
Monoisotopic Mass576.4062507
Topological Polar Surface Area28.2 Ų
Heavy Atom Count42
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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