CS-1000532
Sisomicin Impurity 6
Manufacturer: ChemScene
CAS Number: 1154758-62-9
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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
C₅₁H₈₁N₇O₂₁
Molecular Weight
1128.22
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(CNC(OCC4=CC=C(N(=O)=O)C=C4)=O)O3
Tpsa
372.94
Logp
3.2371
H Acceptors
21
H Donors
9
Rotatable Bonds
17
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: C₅₁H₈₁N₇O₂₁
Molecular Weight: 1128.22
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(CNC(OCC4=CC=C(N(=O)=O)C=C4)=O)O3
Tpsa: 372.94
Logp: 3.2371
H Acceptors: 21
H Donors: 9
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₁H₈₁N₇O₂₁
Molecular Weight:
1128.22
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(CNC(OCC4=CC=C(N(=O)=O)C=C4)=O)O3
Tpsa:
372.94
Logp:
3.2371
H Acceptors:
21
H Donors:
9
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈N₂O₂
Molecular Weight: 270.33
Synonyms: None
SMILES: O=N(=O)C1=CC=C(C=C1)CCNCCC=2C=CC=CC2
Tpsa: 55.17
Logp: 2.9696
H Acceptors: 3
H Donors: 1
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:
C₁₆H₁₈N₂O₂
Molecular Weight:
270.33
Synonyms:
None
SMILES:
O=N(=O)C1=CC=C(C=C1)CCNCCC=2C=CC=CC2
Tpsa:
55.17
Logp:
2.9696
H Acceptors:
3
H Donors:
1
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: C₁₀H₁₂N₄O₅S
Molecular Weight: 300.29
Synonyms: None
SMILES: C([C@]1(C)[C@H](C(O)=O)N2[C@](S1(=O)=O)(CC2=O)[H])N3C=CN=N3
Tpsa: 122.46
Logp: -1.5232
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂N₄O₅S
Molecular Weight:
300.29
Synonyms:
None
SMILES:
C([C@]1(C)[C@H](C(O)=O)N2[C@](S1(=O)=O)(CC2=O)[H])N3C=CN=N3
Tpsa:
122.46
Logp:
-1.5232
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₀ClNO₃S
Molecular Weight: 401.91
Synonyms: None
SMILES: C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)[C@@H]3N4[C@](S[C@@]3(CCl)C)(CC4=O)[H]
Tpsa: 46.61
Logp: 3.9905
H Acceptors: 4
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:
C₂₁H₂₀ClNO₃S
Molecular Weight:
401.91
Synonyms:
None
SMILES:
C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)[C@@H]3N4[C@](S[C@@]3(CCl)C)(CC4=O)[H]
Tpsa:
46.61
Logp:
3.9905
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5