CS-1000058
N-[3-[7-[3-O-(Azidomethyl)-2-deoxy-β-D-erythro-pentofuranosyl]-4-[[(dimethylamino)methylene]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]-2,2,2-trifluoroacetamide
Manufacturer: ChemScene
CAS Number: 666847-91-2
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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
C₂₀H₂₂F₃N₉O₄
Molecular Weight
509.44
Synonyms
None
SMILES
C(#CCNC(C(F)(F)F)=O)C=1C=2C(N(C1)[C@H]3C[C@H](OCN=[N+]=[N-])[C@@H](CO)O3)=NC=NC2N=CN(C)C
Tpsa
162.86
Logp
1.6155
H Acceptors
9
H Donors
2
Rotatable Bonds
8
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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: C₂₀H₂₂F₃N₉O₄
Molecular Weight: 509.44
Synonyms: None
SMILES: C(#CCNC(C(F)(F)F)=O)C=1C=2C(N(C1)[C@H]3C[C@H](OCN=[N+]=[N-])[C@@H](CO)O3)=NC=NC2N=CN(C)C
Tpsa: 162.86
Logp: 1.6155
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₂F₃N₉O₄
Molecular Weight:
509.44
Synonyms:
None
SMILES:
C(#CCNC(C(F)(F)F)=O)C=1C=2C(N(C1)[C@H]3C[C@H](OCN=[N+]=[N-])[C@@H](CO)O3)=NC=NC2N=CN(C)C
Tpsa:
162.86
Logp:
1.6155
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇F₃N₈O₅
Molecular Weight: 470.36
Synonyms: None
SMILES: C(#CCNC(C(F)(F)F)=O)C=1C2=C(N(C1)[C@H]3C[C@H](OCN=[N+]=[N-])[C@@H](CO)O3)NC(N)=NC2=O
Tpsa: 193.25
Logp: 0.2696
H Acceptors: 9
H Donors: 4
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:
C₁₇H₁₇F₃N₈O₅
Molecular Weight:
470.36
Synonyms:
None
SMILES:
C(#CCNC(C(F)(F)F)=O)C=1C2=C(N(C1)[C@H]3C[C@H](OCN=[N+]=[N-])[C@@H](CO)O3)NC(N)=NC2=O
Tpsa:
193.25
Logp:
0.2696
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₃O₉P
Molecular Weight: 260.14
Synonyms: None
SMILES: [C@H]([C@H]([C@@H](CO)O)O)(C(COP(=O)(O)O)=O)O
Tpsa: 164.75
Logp: -3.2602
H Acceptors: 7
H Donors: 6
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:
C₆H₁₃O₉P
Molecular Weight:
260.14
Synonyms:
None
SMILES:
[C@H]([C@H]([C@@H](CO)O)O)(C(COP(=O)(O)O)=O)O
Tpsa:
164.75
Logp:
-3.2602
H Acceptors:
7
H Donors:
6
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: C₁₃H₁₉ClO₈
Molecular Weight: 338.74
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@H](OC(C)=O)[C@@H](CCl)O[C@H](OC)[C@@H]1OC(C)=O
Tpsa: 97.36
Logp: 0.3916
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:
C₁₃H₁₉ClO₈
Molecular Weight:
338.74
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@H](OC(C)=O)[C@@H](CCl)O[C@H](OC)[C@@H]1OC(C)=O
Tpsa:
97.36
Logp:
0.3916
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
5