CS-1002574
(3R,4R)-3-[[(5R,6S)-6,7-Dihydro-5,6-dihydroxy-5H-pyrrolo[2,3-d]pyrimidin-4-yl]methylamino]-4-methyl-β-oxo-1-piperidinepropanenitrile
Manufacturer: ChemScene
CAS Number: 2101958-24-9
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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
C₁₆H₂₂N₆O₃
Molecular Weight
346.38
Synonyms
None
SMILES
N(C)(C1=C2C(N[C@@H](O)[C@@H]2O)=NC=N1)[C@H]3CN(C(CC#N)=O)CC[C@H]3C
Tpsa
125.61
Logp
-0.15922
H Acceptors
8
H Donors
3
Rotatable Bonds
3
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: C₁₆H₂₂N₆O₃
Molecular Weight: 346.38
Synonyms: None
SMILES: N(C)(C1=C2C(N[C@@H](O)[C@@H]2O)=NC=N1)[C@H]3CN(C(CC#N)=O)CC[C@H]3C
Tpsa: 125.61
Logp: -0.15922
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:
C₁₆H₂₂N₆O₃
Molecular Weight:
346.38
Synonyms:
None
SMILES:
N(C)(C1=C2C(N[C@@H](O)[C@@H]2O)=NC=N1)[C@H]3CN(C(CC#N)=O)CC[C@H]3C
Tpsa:
125.61
Logp:
-0.15922
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: C₂₁H₂₇N₇O₃
Molecular Weight: 425.48
Synonyms: None
SMILES: N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(C(C(CC(OCC)=O)=N)C#N)=O)CC[C@H]3C
Tpsa: 139.06
Logp: 1.74385
H Acceptors: 8
H Donors: 2
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:
C₂₁H₂₇N₇O₃
Molecular Weight:
425.48
Synonyms:
None
SMILES:
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(C(C(CC(OCC)=O)=N)C#N)=O)CC[C@H]3C
Tpsa:
139.06
Logp:
1.74385
H Acceptors:
8
H Donors:
2
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: C₃₂H₄₀N₁₂O₂
Molecular Weight: 624.74
Synonyms: None
SMILES: N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(C(C(CC(=O)N4C[C@H](N(C)C5=C6C(NC=C6)=NC=N5)[C@H](C)CC4)=N)C#N)=O)CC[C@H]3C
Tpsa: 177.88
Logp: 2.82545
H Acceptors: 10
H Donors: 3
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:
C₃₂H₄₀N₁₂O₂
Molecular Weight:
624.74
Synonyms:
None
SMILES:
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(C(C(CC(=O)N4C[C@H](N(C)C5=C6C(NC=C6)=NC=N5)[C@H](C)CC4)=N)C#N)=O)CC[C@H]3C
Tpsa:
177.88
Logp:
2.82545
H Acceptors:
10
H Donors:
3
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: C₂₃H₃₇NO₂
Molecular Weight: 359.55
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@]5([C@](C4)(O5)[H])[H])[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Tpsa: 36
Logp: 3.8416
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₇NO₂
Molecular Weight:
359.55
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@]5([C@](C4)(O5)[H])[H])[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Tpsa:
36
Logp:
3.8416
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1