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AC 4437

CAT: 0013-GTR19198322-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198322-02Size:50 mg
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Description
AC 4437
CAS Number
63487-84-3
Field of Research
Infectious Disease & Virology
Smiles
CC1OC (OC2C (O) C (O) C (NC (N) =N) C (O) C2NC (N) =N) C (O) C1 (O) CO
Molecular Formula
C14H28N6O8
Molecular Weight
408.412
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AC 4437

from Streptomyces AC4437; structure given in first source

CAS Number63487-84-3
PubChem CID124201503
IUPAC Name2-[(1S,2S,3R,4S,5S,6R)-3-(diaminomethylideneamino)-4-[(2R,3R,4S,5S)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
Molecular FormulaC14H28N6O8
Molecular Weight408.41
XLogP-6.3
Topological Polar Surface Area269
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity615
SMILES
C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O)O)N=C(N)N)O)N=C(N)N)O)(CO)O
InChI
InChI=1S/C14H28N6O8/c1-3-14(26,2-21)10(25)11(27-3)28-9-5(20-13(17)18)6(22)4(19-12(15)16)7(23)8(9)24/h3-11,21-26H,2H2,1H3,(H4,15,16,19)(H4,17,18,20)/t3-,4-,5+,6-,7+,8-,9-,10-,11-,14+/m0/s1
InChIKey
ACTKLUZDHCNOLG-IJJDTDNZSA-N
Chemical Structure
2D Structure
2D structure of AC 4437
CAS: 63487-84-3
CID: 124201503
Formula: C14H28N6O8
MW: 408.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.41
XLogP3-6.3
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass408.19686187
Monoisotopic Mass408.19686187
Topological Polar Surface Area269 Ų
Heavy Atom Count28
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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