CS-1000081
N-[7-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-β-D-erythro-pentofuranosyl]-4,7-dihydro-5-iodo-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-2-methylpropanamide
Manufacturer: ChemScene
CAS Number: 174462-92-1
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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
C₃₆H₃₇IN₄O₇
Molecular Weight
764.61
Synonyms
None
SMILES
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C3=C(C(I)=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
Tpsa
136.93
Logp
5.598
H Acceptors
9
H Donors
3
Rotatable Bonds
11
Related Products
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: C₃₆H₃₇IN₄O₇
Molecular Weight: 764.61
Synonyms: None
SMILES: C(OC[C@H]1O[C@H](C[C@@H]1O)N2C3=C(C(I)=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
Tpsa: 136.93
Logp: 5.598
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₃₇IN₄O₇
Molecular Weight:
764.61
Synonyms:
None
SMILES:
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C3=C(C(I)=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
Tpsa:
136.93
Logp:
5.598
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅N₃O₄
Molecular Weight: 265.27
Synonyms: None
SMILES: O(CC1=CC=CC=C1)[C@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]2O
Tpsa: 107.68
Logp: 0.9602
H Acceptors: 5
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:
C₁₂H₁₅N₃O₄
Molecular Weight:
265.27
Synonyms:
None
SMILES:
O(CC1=CC=CC=C1)[C@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]2O
Tpsa:
107.68
Logp:
0.9602
H Acceptors:
5
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: C₂₆H₃₅N₃O₁₇
Molecular Weight: 661.57
Synonyms: None
SMILES: O([C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](N=[N+]=[N-])O[C@@H]1COC(C)=O)[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O2
Tpsa: 260.55
Logp: -0.0836
H Acceptors: 18
H Donors: 0
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₅N₃O₁₇
Molecular Weight:
661.57
Synonyms:
None
SMILES:
O([C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](N=[N+]=[N-])O[C@@H]1COC(C)=O)[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O2
Tpsa:
260.55
Logp:
-0.0836
H Acceptors:
18
H Donors:
0
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆BrN₃O₇
Molecular Weight: 394.18
Synonyms: None
SMILES: N(=[N+]=[N-])[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H](Br)[C@@H]1OC(C)=O
Tpsa: 136.89
Logp: 1.2116
H Acceptors: 8
H Donors: 0
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:
C₁₂H₁₆BrN₃O₇
Molecular Weight:
394.18
Synonyms:
None
SMILES:
N(=[N+]=[N-])[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H](Br)[C@@H]1OC(C)=O
Tpsa:
136.89
Logp:
1.2116
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
5