CS-1000287
Daunorubicin Impurity 49
Manufacturer: ChemScene
CAS Number: 105454-45-3
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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
C₃₂H₃₈N₂O₁₁
Molecular Weight
626.65
Synonyms
None
SMILES
O=C1C=2C=CC=CC2C(=O)C=3C(O)=C4C(=C(O)C13)CC(OC5OC(C)C(O)C(N)C5)(C(=O)C)CC4OC6OC(C)C(O)C(N)C6
Tpsa
221.09
Logp
0.8677
H Acceptors
13
H Donors
6
Rotatable Bonds
5
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: C₃₂H₃₈N₂O₁₁
Molecular Weight: 626.65
Synonyms: None
SMILES: O=C1C=2C=CC=CC2C(=O)C=3C(O)=C4C(=C(O)C13)CC(OC5OC(C)C(O)C(N)C5)(C(=O)C)CC4OC6OC(C)C(O)C(N)C6
Tpsa: 221.09
Logp: 0.8677
H Acceptors: 13
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:
C₃₂H₃₈N₂O₁₁
Molecular Weight:
626.65
Synonyms:
None
SMILES:
O=C1C=2C=CC=CC2C(=O)C=3C(O)=C4C(=C(O)C13)CC(OC5OC(C)C(O)C(N)C5)(C(=O)C)CC4OC6OC(C)C(O)C(N)C6
Tpsa:
221.09
Logp:
0.8677
H Acceptors:
13
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: C₃₇H₆₇NO₁₃
Molecular Weight: 733.93
Synonyms: None
SMILES: O([C@H]1[C@@](OC)(C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H]1C)[C@H]3[C@H](O)[C@@H](N(C)C)C[C@@H](C)O3
Tpsa: 193.91
Logp: 1.7856
H Acceptors: 14
H Donors: 5
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:
C₃₇H₆₇NO₁₃
Molecular Weight:
733.93
Synonyms:
None
SMILES:
O([C@H]1[C@@](OC)(C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H]1C)[C@H]3[C@H](O)[C@@H](N(C)C)C[C@@H](C)O3
Tpsa:
193.91
Logp:
1.7856
H Acceptors:
14
H Donors:
5
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂O₂
Molecular Weight: 128.17
Synonyms: None
SMILES: O=C1OCC(C1)C(C)C
Tpsa: 26.3
Logp: 1.2055
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂O₂
Molecular Weight:
128.17
Synonyms:
None
SMILES:
O=C1OCC(C1)C(C)C
Tpsa:
26.3
Logp:
1.2055
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: -20°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₈O₄
Molecular Weight: 344.44
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)\C(=C(\C=O)/O)\CC4)[H])(CCC1=CC(=O)CC2)[H])[H]
Tpsa: 74.6
Logp: 3.5001
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
-20°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₈O₄
Molecular Weight:
344.44
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)\C(=C(\C=O)/O)\CC4)[H])(CCC1=CC(=O)CC2)[H])[H]
Tpsa:
74.6
Logp:
3.5001
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1