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D-Desthiobiotin

CAT: 0572-TRC-D297663-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D297663-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
533-48-2
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O
Molecular Formula
C10 H18 N2 O3
Molecular Weight
214.262
InChI
InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1
Additionnal Information
IUPAC name: 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Desthiobiotin

(4R,5S)-dethiobiotin is the (4R,5S)-isomer of dethiobiotin. It is a conjugate acid of a (4R,5S)-dethiobiotin(1-). It is an enantiomer of a (4S,5R)-dethiobiotin.

CAS Number533-48-2
PubChem CID445027
IUPAC Name6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
Molecular FormulaC10H18N2O3
Molecular Weight214.26
XLogP0.8
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity243
SMILES
C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O
InChI
InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1
InChIKey
AUTOLBMXDDTRRT-JGVFFNPUSA-N
Chemical Structure
2D Structure
2D structure of Desthiobiotin
CAS: 533-48-2
CID: 445027
Formula: C10H18N2O3
MW: 214.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.26
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass214.13174244
Monoisotopic Mass214.13174244
Topological Polar Surface Area78.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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