CS-0648683
4-(((2R,3R,4R,5R)-5-(6-Amino-2-fluoro-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-fluorotetrahydrofuran-3-yl)oxy)-4-oxobutanoic acid
Manufacturer: ChemScene
CAS Number: 1172578-47-0
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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
C₃₅H₃₃F₂N₅O₈
Molecular Weight
689.66
Synonyms
None
SMILES
OC(CCC(O[C@@H]([C@H]([C@H](N1C2=NC(F)=NC(N)=C2N=C1)O3)F)[C@H]3COC(C4=CC=C(C=C4)OC)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)=O)=O
Tpsa
170.14
Logp
4.5856
H Acceptors
12
H Donors
2
Rotatable Bonds
13
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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: C₃₅H₃₃F₂N₅O₈
Molecular Weight: 689.66
Synonyms: None
SMILES: OC(CCC(O[C@@H]([C@H]([C@H](N1C2=NC(F)=NC(N)=C2N=C1)O3)F)[C@H]3COC(C4=CC=C(C=C4)OC)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)=O)=O
Tpsa: 170.14
Logp: 4.5856
H Acceptors: 12
H Donors: 2
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:
C₃₅H₃₃F₂N₅O₈
Molecular Weight:
689.66
Synonyms:
None
SMILES:
OC(CCC(O[C@@H]([C@H]([C@H](N1C2=NC(F)=NC(N)=C2N=C1)O3)F)[C@H]3COC(C4=CC=C(C=C4)OC)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)=O)=O
Tpsa:
170.14
Logp:
4.5856
H Acceptors:
12
H Donors:
2
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: C₁₄H₁₇N₂OP
Molecular Weight: 260.27
Synonyms: None
SMILES: NC1=CC=C2N=C(C3CC3)C=CC2=C1P(C)(C)=O
Tpsa: 55.98
Logp: 2.9424
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇N₂OP
Molecular Weight:
260.27
Synonyms:
None
SMILES:
NC1=CC=C2N=C(C3CC3)C=CC2=C1P(C)(C)=O
Tpsa:
55.98
Logp:
2.9424
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₈ClNOSi
Molecular Weight: 361.98
Synonyms: None
SMILES: NC1(CO[Si](C2=CC=CC=C2)(C(C)(C)C)C3=CC=CC=C3)CC1.Cl
Tpsa: 35.25
Logp: 3.4761
H Acceptors: 2
H Donors: 1
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:
C₂₀H₂₈ClNOSi
Molecular Weight:
361.98
Synonyms:
None
SMILES:
NC1(CO[Si](C2=CC=CC=C2)(C(C)(C)C)C3=CC=CC=C3)CC1.Cl
Tpsa:
35.25
Logp:
3.4761
H Acceptors:
2
H Donors:
1
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: C₂₇H₂₂N₂O₄
Molecular Weight: 438.47
Synonyms: None
SMILES: O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC5=C(C=NC=C5)C=C4
Tpsa: 88.52
Logp: 4.7692
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₂₂N₂O₄
Molecular Weight:
438.47
Synonyms:
None
SMILES:
O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC5=C(C=NC=C5)C=C4
Tpsa:
88.52
Logp:
4.7692
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
6