CS-1001140
Entecavir Impurity 58
Manufacturer: ChemScene
CAS Number: 1354715-30-2
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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
C₁₇H₂₂ClN₅O₄
Molecular Weight
395.84
Synonyms
None
SMILES
C=C1[C@@H](N2C=3C(N=C2)=C(Cl)N=C(NC(OC(C)(C)C)=O)N3)C[C@H](O)[C@H]1CO
Tpsa
122.39
Logp
2.2971
H Acceptors
8
H Donors
3
Rotatable Bonds
3
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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: C₁₇H₂₂ClN₅O₄
Molecular Weight: 395.84
Synonyms: None
SMILES: C=C1[C@@H](N2C=3C(N=C2)=C(Cl)N=C(NC(OC(C)(C)C)=O)N3)C[C@H](O)[C@H]1CO
Tpsa: 122.39
Logp: 2.2971
H Acceptors: 8
H Donors: 3
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:
C₁₇H₂₂ClN₅O₄
Molecular Weight:
395.84
Synonyms:
None
SMILES:
C=C1[C@@H](N2C=3C(N=C2)=C(Cl)N=C(NC(OC(C)(C)C)=O)N3)C[C@H](O)[C@H]1CO
Tpsa:
122.39
Logp:
2.2971
H Acceptors:
8
H Donors:
3
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: C₁₅H₂₃ClNO₄P
Molecular Weight: 347.77
Synonyms: None
SMILES: O(P(N[C@H](C(OCC(CC)CC)=O)C)(Cl)=O)C1=CC=CC=C1
Tpsa: 64.63
Logp: 4.3698
H Acceptors: 4
H Donors: 1
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:
C₁₅H₂₃ClNO₄P
Molecular Weight:
347.77
Synonyms:
None
SMILES:
O(P(N[C@H](C(OCC(CC)CC)=O)C)(Cl)=O)C1=CC=CC=C1
Tpsa:
64.63
Logp:
4.3698
H Acceptors:
4
H Donors:
1
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: C₂₇H₃₅N₆O₈P
Molecular Weight: 602.58
Synonyms: None
SMILES: C(#N)[C@]1(O[C@H](COP(OC2=CC=CC=C2)(N[C@H](C(OCC(CC)CC)=O)C)=O)[C@@H](O)[C@H]1O)C=3N4C(=CC3)C(N)=NC=N4
Tpsa: 203.55
Logp: 2.31218
H Acceptors: 13
H Donors: 4
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₅N₆O₈P
Molecular Weight:
602.58
Synonyms:
None
SMILES:
C(#N)[C@]1(O[C@H](COP(OC2=CC=CC=C2)(N[C@H](C(OCC(CC)CC)=O)C)=O)[C@@H](O)[C@H]1O)C=3N4C(=CC3)C(N)=NC=N4
Tpsa:
203.55
Logp:
2.31218
H Acceptors:
13
H Donors:
4
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₄N₄O₄
Molecular Weight: 206.20
Synonyms: None
SMILES: O=C(NNC(=O)C(N)CO)C(N)CO
Tpsa: 150.7
Logp: -4.227
H Acceptors: 6
H Donors: 6
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:
C₆H₁₄N₄O₄
Molecular Weight:
206.20
Synonyms:
None
SMILES:
O=C(NNC(=O)C(N)CO)C(N)CO
Tpsa:
150.7
Logp:
-4.227
H Acceptors:
6
H Donors:
6
Rotatable Bonds:
4