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Dehydroclindamycin

CAT: 0926-MD46888-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-MD46888-01Size:1 mg
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CAS Number
909032-77-5
Synonyms
Methyl 7-Chloro-6,7,8-trideoxy-6-[[[ (2S) -2,3-dihydro-1-methyl-4-propyl-1H- pyrrol-2-yl]carbonyl]amino]-1-thio-L-threo-a-D-galactooct opyranoside
Smiles
CCCC1=CC (N (C1) C) C (=O) NC (C2[C@@H] ([C@H] (C ([C@H] (O2) SC) O) O) O) C (C) Cl
Molecular Formula
C18H31ClN2O5S
Molecular Weight
422.97 g/mol
Controlled
No

Chemical Information

Dehydroclindamycin
CAS Number909032-77-5
PubChem CID131887273
IUPAC Name(2S)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propyl-2,3-dihydropyrrole-2-carboxamide
Molecular FormulaC18H31ClN2O5S
Molecular Weight423.0
XLogP1.5
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity552
SMILES
CCCC1=CN([C@@H](C1)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl)C
InChI
InChI=1S/C18H31ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h8-9,11-16,18,22-24H,5-7H2,1-4H3,(H,20,25)/t9-,11-,12+,13-,14+,15+,16+,18+/m0/s1
InChIKey
SDLAFOYVUSTKSU-UNYBQZSXSA-N
Chemical Structure
2D Structure
2D structure of Dehydroclindamycin
CAS: 909032-77-5
CID: 131887273
Formula: C18H31ClN2O5S
MW: 423.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.0
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass422.1642210
Monoisotopic Mass422.1642210
Topological Polar Surface Area128 Ų
Heavy Atom Count27
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AR-C05222-01Dehydroclindamycin
257290-01Dehydroclindamycin phosphate
TRC-D229350-10MGDehydroclindamycin Hydrochloride
421897(2R) -Dehydroclindamycin Hydrochloride
TRC-D229353-2.5MG(2R)-Dehydroclindamycin Hydrochloride
RM-C120404-01Dehydroclindamycin E/Z Mixture
TRC-D228945-25MG3'(6')-Dehydroclindamycin Phosphate Ammonium Salt
427804-013' (6') -Dehydroclindamycin Phosphate Ammonium Salt

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