7-Epiclindamycin 2-Phosphate (>90%)

CAT: 0572-TRC-E582505-1MGSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-E582505-1MGSize:1 mg

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CAS Number

620181-05-7

Synonyms

D-erythro-alpha-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, 2-(dihydrogen phosphate)

Hazard Statement

Causes skin irritation; UN number: UN3077; Packing Group: III

Purity

>95% (HPLC)

Smiles

CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O

Molecular Formula

C18 H34 Cl N2 O8 P S

Molecular Weight

504.96

InChI

InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10-,11+,12-,13-,14+,15-,16-,18-/m1/s1

Additionnal Information

IUPAC name: [(2R,3R,4S,5R,6R)-6-[(1S,2R)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

7-Epiclindamycin 2-phosphate

CAS Number	620181-05-7
PubChem CID	71314904
IUPAC Name	[(2R,3R,4S,5R,6R)-6-[(1S,2R)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
Molecular Formula	C18H34ClN2O8PS
Molecular Weight	505.0
XLogP	-1.2
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Heavy Atom Count	31
Formal Charge	0
Complexity	658

SMILES

CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@@H](C)Cl

InChI

InChIKey

UFUVLHLTWXBHGZ-AVENPWRCSA-N

Chemical Structure

2D Structure

CAS: 620181-05-7

CID: 71314904

Formula: C18H34ClN2O8PS

MW: 505.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	505.0
XLogP3	-1.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	504.1462019
Monoisotopic Mass	504.1462019
Topological Polar Surface Area	174 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	658
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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7-Epiclindamycin 2-Phosphate (>90%)

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