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D-erythro-Chloramphenicol

CAT: 0926-FC76378-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FC76378-01Size:2 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7387-98-6
MDL Number
MFCD00083596
Smiles
C1=CC (=CC=C1[C@@H] ([C@@H] (CO) NC (=O) C (Cl) Cl) O) [N+] (=O) [O-]
Molecular Formula
C11H12Cl2N2O5
Molecular Weight
323.13 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

D-Erythro-chloramphenicol

See also: Chloramphenicol (annotation moved to).

CAS Number7387-98-6
PubChem CID146034
IUPAC Name2,2-dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Molecular FormulaC11H12Cl2N2O5
Molecular Weight323.13
XLogP1.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity342
SMILES
C1=CC(=CC=C1[C@@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
InChI
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9+/m1/s1
InChIKey
WIIZWVCIJKGZOK-BDAKNGLRSA-N
Chemical Structure
2D Structure
2D structure of D-Erythro-chloramphenicol
CAS: 7387-98-6
CID: 146034
Formula: C11H12Cl2N2O5
MW: 323.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.13
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass322.0123269
Monoisotopic Mass322.0123269
Topological Polar Surface Area115 Ų
Heavy Atom Count20
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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