Products for Research Use Only

Blasticidin S . hydrochloride

CAT: 1106-ALX-380-089-M100Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1106-ALX-380-089-M100Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
3513-03-9
Certification
RUO
Source
Isolated from Streptomyces griseochromogenes .
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥98% (HPLC)
Solubility
Soluble in water; insoluble in organic solvents.
Molecular Formula
C 17 H 26 N 8 O 5 . HCl
Molecular Weight
422.4 . 36.5
Shipping Conditions
Ambient Temperature
Storage Conditions
+4°C
Appearance
White to off-white powder.

Chemical Information

beta-D-erythro-Hex-2-enopyranuronic acid, 4-(((3S)-3-amino-5-((aminoiminomethyl)methylamino)-1-oxopentyl)amino)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-, hydrochloride (1:1)

See also: Blasticidin S hydrochloride (annotation moved to).

CAS Number3513-03-9
PubChem CID75412545
IUPAC Name(2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride
Molecular FormulaC17H27ClN8O5
Molecular Weight458.9
Topological Polar Surface Area213
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity795
SMILES
CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N.Cl
InChI
InChI=1S/C17H26N8O5.ClH/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29;/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29);1H/t9-,10-,13+,14-;/m0./s1
InChIKey
YQXYQOXRCNEATG-NMQKUDMSSA-N
Chemical Structure
2D Structure
2D structure of beta-D-erythro-Hex-2-enopyranuronic acid, 4-(((3S)-3-amino-5-((aminoiminomethyl)methylamino)-1-oxopentyl)amino)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-, hydrochloride (1:1)
CAS: 3513-03-9
CID: 75412545
Formula: C17H27ClN8O5
MW: 458.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight458.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass458.1792937
Monoisotopic Mass458.1792937
Topological Polar Surface Area213 Ų
Heavy Atom Count31
Formal Charge0
Complexity795
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes