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Virginiamycin M1 (~90%)

CAT: 0572-TRC-V673810-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V673810-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21411-53-0
Synonyms
3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 8,9,14,15,24,25-hexahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-, (3R,4R,5E,10E,12E,14S)-; Mikamycin A (6CI,8CI); Ostreogrycin A (7CI); Virginiamycin M1; (3R,4R,5E,10E,12E,14S)-8,9,14,15,24,25-Hexahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-3H-21,18-nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone; Antibiotic PA 114A; Antibiotic PA 114A1; Factor M; Factor M (antibiotic); NSC 244426; NSC 87432; PA 114A; Pristinamycin II; Pristinamycin IIA; RP 12536; Staphylomycin M1; Streptogramin A; Vernamycin A; [3R-(3R*,4R*,5E,10E,12E,14S*)]-8,9,14,15,24,25-Hexahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-3H-21,18-nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
Hazard Statement
Harmful if swallowed
Smiles
CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C)n3
Molecular Formula
C28 H35 N3 O7
Molecular Weight
525.59
InChI
InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Virginiamycin M1

Pristinamycin IIA is a macrolide that is (together with pristinamycin IA) a component of pristinamycin, an oral streptogramin antibiotic produced by Streptomyces pristinaespiralis. Pristinamycin exhibits bactericidal activity against Gram positive organisms including methicillin-resistant Staphylococcus aureus. It has a role as a Mycoplasma genitalium metabolite and an antibacterial drug. It is a secondary carboxamide, a tertiary carboxamide, a pyrroline, a lactam, a macrolide antibiotic, a macrolide, a secondary alcohol, a cyclic ketone, a member of 1,3-oxazoles and an enamide.

CAS Number21411-53-0
PubChem CID5459319
IUPAC Name(10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone
Molecular FormulaC28H35N3O7
Molecular Weight525.6
XLogP2.5
Topological Polar Surface Area139
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count38
Formal Charge0
Complexity1030
SMILES
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C
InChI
InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1
InChIKey
DAIKHDNSXMZDCU-FQTGFAPKSA-N
Chemical Structure
2D Structure
2D structure of Virginiamycin M1
CAS: 21411-53-0
CID: 5459319
Formula: C28H35N3O7
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass525.24750046
Monoisotopic Mass525.24750046
Topological Polar Surface Area139 Ų
Heavy Atom Count38
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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