CS-1002947
Sisomicin Impurity 9
Manufacturer: ChemScene
CAS Number: 2306236-37-1
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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
C₄₅H₈₀N₆O₁₈
Molecular Weight
993.15
Synonyms
None
SMILES
O([C@@H]1[C@@H](NC(OC(C)(C)C)=O)C[C@@H](NC([C@H](CCNC(OC(C)(C)C)=O)O)=O)[C@H](O[C@@H]2[C@H](O)[C@@H](N(C(OC(C)(C)C)=O)C)[C@@](C)(O)CO2)[C@H]1O)[C@@H]3[C@H](NC(OC(C)(C)C)=O)CC=C(CNCCO)O3
Tpsa
323.73
Logp
0.9844
H Acceptors
19
H Donors
10
Rotatable Bonds
16
SAFETY INFORMATION
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: C₄₅H₈₀N₆O₁₈
Molecular Weight: 993.15
Synonyms: None
SMILES: O([C@@H]1[C@@H](NC(OC(C)(C)C)=O)C[C@@H](NC([C@H](CCNC(OC(C)(C)C)=O)O)=O)[C@H](O[C@@H]2[C@H](O)[C@@H](N(C(OC(C)(C)C)=O)C)[C@@](C)(O)CO2)[C@H]1O)[C@@H]3[C@H](NC(OC(C)(C)C)=O)CC=C(CNCCO)O3
Tpsa: 323.73
Logp: 0.9844
H Acceptors: 19
H Donors: 10
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₅H₈₀N₆O₁₈
Molecular Weight:
993.15
Synonyms:
None
SMILES:
O([C@@H]1[C@@H](NC(OC(C)(C)C)=O)C[C@@H](NC([C@H](CCNC(OC(C)(C)C)=O)O)=O)[C@H](O[C@@H]2[C@H](O)[C@@H](N(C(OC(C)(C)C)=O)C)[C@@](C)(O)CO2)[C@H]1O)[C@@H]3[C@H](NC(OC(C)(C)C)=O)CC=C(CNCCO)O3
Tpsa:
323.73
Logp:
0.9844
H Acceptors:
19
H Donors:
10
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₂N₂O₃
Molecular Weight: 230.30
Synonyms: None
SMILES: [C@@H](CN[C@H](C(N)=O)CC)(CC(O)=O)CCC
Tpsa: 92.42
Logp: 0.7309
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₂N₂O₃
Molecular Weight:
230.30
Synonyms:
None
SMILES:
[C@@H](CN[C@H](C(N)=O)CC)(CC(O)=O)CCC
Tpsa:
92.42
Logp:
0.7309
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₆O
Molecular Weight: 164.24
Synonyms: None
SMILES: O(C1=CC=CC(=C1)C)CCCC
Tpsa: 9.23
Logp: 3.17392
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₆O
Molecular Weight:
164.24
Synonyms:
None
SMILES:
O(C1=CC=CC(=C1)C)CCCC
Tpsa:
9.23
Logp:
3.17392
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈O₉
Molecular Weight: 318.28
Synonyms: None
SMILES: O(C(C)=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]1COC(C)=O
Tpsa: 114.43
Logp: -0.2991
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈O₉
Molecular Weight:
318.28
Synonyms:
None
SMILES:
O(C(C)=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]1COC(C)=O
Tpsa:
114.43
Logp:
-0.2991
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
5