CS-0913974
(4aR,5aR,12aS)-7-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-((neopentylamino)methyl)-1,4,11-trioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Manufacturer: ChemScene
CAS Number: 885112-31-2
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₇H₃₃N₃O₈
Molecular Weight
527.57
Synonyms
None
SMILES
OC1=C2[C@@](CC=3C(C2=O)=C(O)C(CNCC(C)(C)C)=CC3N(C)C)(C[C@@]4([C@@]1(O)C(=O)C(C(N)=O)=C(O)C4=O)[H])[H]
Tpsa
190.49
Logp
0.9612
H Acceptors
10
H Donors
6
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 885112-31-2 | 4-Desdimethylamine 4-Oxo Omadacycline | A2B Chem | -- |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₃N₃O₈
Molecular Weight: 527.57
Synonyms: None
SMILES: OC1=C2[C@@](CC=3C(C2=O)=C(O)C(CNCC(C)(C)C)=CC3N(C)C)(C[C@@]4([C@@]1(O)C(=O)C(C(N)=O)=C(O)C4=O)[H])[H]
Tpsa: 190.49
Logp: 0.9612
H Acceptors: 10
H Donors: 6
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₃N₃O₈
Molecular Weight:
527.57
Synonyms:
None
SMILES:
OC1=C2[C@@](CC=3C(C2=O)=C(O)C(CNCC(C)(C)C)=CC3N(C)C)(C[C@@]4([C@@]1(O)C(=O)C(C(N)=O)=C(O)C4=O)[H])[H]
Tpsa:
190.49
Logp:
0.9612
H Acceptors:
10
H Donors:
6
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₄₂N₄O₈
Molecular Weight: 586.68
Synonyms: None
SMILES: O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(NCO)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C(C3)=C(N(C)C)C=C(CNCC(C)(C)C)C4O)[H])[H]
Tpsa: 182.9
Logp: 0.903
H Acceptors: 11
H Donors: 7
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₂N₄O₈
Molecular Weight:
586.68
Synonyms:
None
SMILES:
O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(NCO)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C(C3)=C(N(C)C)C=C(CNCC(C)(C)C)C4O)[H])[H]
Tpsa:
182.9
Logp:
0.903
H Acceptors:
11
H Donors:
7
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅BrF₂O₃
Molecular Weight: 267.02
Synonyms: None
SMILES: O=C(O)C1=C(Br)C=C(F)C(OC)=C1F
Tpsa: 46.53
Logp: 2.4341
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₅BrF₂O₃
Molecular Weight:
267.02
Synonyms:
None
SMILES:
O=C(O)C1=C(Br)C=C(F)C(OC)=C1F
Tpsa:
46.53
Logp:
2.4341
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₄₂N₄O₇
Molecular Weight: 570.68
Synonyms: None
SMILES: O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C(C3)=C(N(C)C)C=C(CN(CC(C)(C)C)C)C4O)[H])[H]
Tpsa: 167.87
Logp: 1.6645
H Acceptors: 10
H Donors: 5
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₂N₄O₇
Molecular Weight:
570.68
Synonyms:
None
SMILES:
O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C(C3)=C(N(C)C)C=C(CN(CC(C)(C)C)C)C4O)[H])[H]
Tpsa:
167.87
Logp:
1.6645
H Acceptors:
10
H Donors:
5
Rotatable Bonds:
6