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Spicamycin

CAT: 0931-T34694-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34694-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87099-85-2
Target
Antifungal, Apoptosis, Bcl-2 Family, Others, Antibiotic
Related Pathways
Others, Apoptosis, Microbiology/Virology
Bioactivity
Spicamycin can be used as a potent inducer of differentiation of human myeloid leukemia cells (HL-60) and murine myeloid leukemia cells (M1) .
Smiles
N(C1=C2C(N=CN2)=NC=N1)[C@H]3O[C@@]([C@H](CO)O)([C@H](NC(CNC(CCCCCCCCCCCCC(C)C)=O)=O)[C@@H](O)[C@H]3O)[H]
Molecular Formula
C30H51N7O7
Molecular Weight
621.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Spicamycin
CAS Number87099-85-2
PubChem CID10054648
IUPAC NameN-[2-[[(2R,3R,4R,5R,6S)-2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide
Molecular FormulaC30H51N7O7
Molecular Weight621.8
XLogP4.1
Topological Polar Surface Area215
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count44
Formal Charge0
Complexity842
SMILES
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O
InChI
InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)/t20?,23-,25-,26-,27+,30+/m1/s1
InChIKey
YBZRLMLGUBIIDN-NZSGCTDASA-N
Chemical Structure
2D Structure
2D structure of Spicamycin
CAS: 87099-85-2
CID: 10054648
Formula: C30H51N7O7
MW: 621.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight621.8
XLogP34.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass621.38499699
Monoisotopic Mass621.38499699
Topological Polar Surface Area215 Ų
Heavy Atom Count44
Formal Charge0
Complexity842
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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