CS-0914688
Caspofungin Impurity 13
Manufacturer: ChemScene
CAS Number: 314080-31-4
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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
C₅₀H₈₂N₈O₁₆
Molecular Weight
1051.23
Synonyms
None
SMILES
C([C@@H](NC(=O)[C@@H]1N(C(CCCCCCCCC(CC(CC)C)C)=O)C(O)[C@H](O)C1)[C@@H](C)O)(=O)N2[C@H](C(N[C@H](C(N[C@H](C(=O)N3[C@H](C(N)=O)[C@@H](O)CC3)[C@@H](CCN)O)=O)[C@@H]([C@@H](O)C4=CC=C(O)C=C4)O)=O)C[C@@H](O)C2
Tpsa
399.41
Logp
-2.7864
H Acceptors
17
H Donors
14
Rotatable Bonds
28
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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: C₅₀H₈₂N₈O₁₆
Molecular Weight: 1051.23
Synonyms: None
SMILES: C([C@@H](NC(=O)[C@@H]1N(C(CCCCCCCCC(CC(CC)C)C)=O)C(O)[C@H](O)C1)[C@@H](C)O)(=O)N2[C@H](C(N[C@H](C(N[C@H](C(=O)N3[C@H](C(N)=O)[C@@H](O)CC3)[C@@H](CCN)O)=O)[C@@H]([C@@H](O)C4=CC=C(O)C=C4)O)=O)C[C@@H](O)C2
Tpsa: 399.41
Logp: -2.7864
H Acceptors: 17
H Donors: 14
Rotatable Bonds: 28
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₀H₈₂N₈O₁₆
Molecular Weight:
1051.23
Synonyms:
None
SMILES:
C([C@@H](NC(=O)[C@@H]1N(C(CCCCCCCCC(CC(CC)C)C)=O)C(O)[C@H](O)C1)[C@@H](C)O)(=O)N2[C@H](C(N[C@H](C(N[C@H](C(=O)N3[C@H](C(N)=O)[C@@H](O)CC3)[C@@H](CCN)O)=O)[C@@H]([C@@H](O)C4=CC=C(O)C=C4)O)=O)C[C@@H](O)C2
Tpsa:
399.41
Logp:
-2.7864
H Acceptors:
17
H Donors:
14
Rotatable Bonds:
28
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂ClN₃O₅S
Molecular Weight: 369.78
Synonyms: None
SMILES: C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@H](N)C3=O)(SCC2Cl)[H]
Tpsa: 115.77
Logp: 1.3308
H Acceptors: 7
H Donors: 1
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:
C₁₄H₁₂ClN₃O₅S
Molecular Weight:
369.78
Synonyms:
None
SMILES:
C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@H](N)C3=O)(SCC2Cl)[H]
Tpsa:
115.77
Logp:
1.3308
H Acceptors:
7
H Donors:
1
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: C₁₇H₁₈N₂O₃
Molecular Weight: 298.34
Synonyms: None
SMILES: [C@H](NC([C@H](N)C1=CC=CC=C1)=O)(C(OC)=O)C2=CC=CC=C2
Tpsa: 81.42
Logp: 1.7169
H Acceptors: 4
H Donors: 2
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:
C₁₇H₁₈N₂O₃
Molecular Weight:
298.34
Synonyms:
None
SMILES:
[C@H](NC([C@H](N)C1=CC=CC=C1)=O)(C(OC)=O)C2=CC=CC=C2
Tpsa:
81.42
Logp:
1.7169
H Acceptors:
4
H Donors:
2
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: C₁₂H₁₂Br₂N₂O₆S
Molecular Weight: 472.11
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@H](NC(C(Br)Br)=O)C2=O)(SCC1COC(C)=O)[H]
Tpsa: 113.01
Logp: 0.404
H Acceptors: 6
H Donors: 2
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:
C₁₂H₁₂Br₂N₂O₆S
Molecular Weight:
472.11
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@H](NC(C(Br)Br)=O)C2=O)(SCC1COC(C)=O)[H]
Tpsa:
113.01
Logp:
0.404
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
5