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IHVR-19029

CAT: 0607-BA1618-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1618-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1447464-73-4
Form
A solid
Molecular Formula
C23H45N3O5
Molecular Weight
443.62
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Ihvr-19029
CAS Number1447464-73-4
PubChem CID71713800
IUPAC Name3-tert-butyl-1-cyclohexyl-1-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea
Molecular FormulaC23H45N3O5
Molecular Weight443.6
XLogP1.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity536
SMILES
CC(C)(C)NC(=O)N(CCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)C2CCCCC2
InChI
InChI=1S/C23H45N3O5/c1-23(2,3)24-22(31)26(17-11-7-6-8-12-17)14-10-5-4-9-13-25-15-19(28)21(30)20(29)18(25)16-27/h17-21,27-30H,4-16H2,1-3H3,(H,24,31)/t18-,19+,20-,21-/m1/s1
InChIKey
GFBNIASMQRMEDU-PLACYPQZSA-N
Chemical Structure
2D Structure
2D structure of Ihvr-19029
CAS: 1447464-73-4
CID: 71713800
Formula: C23H45N3O5
MW: 443.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.6
XLogP31.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass443.33592154
Monoisotopic Mass443.33592154
Topological Polar Surface Area117 Ų
Heavy Atom Count31
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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