CS-0003156
Calystegine B2
Manufacturer: ChemScene
CAS Number: 127414-85-1
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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
C₇H₁₃NO₄
Molecular Weight
175.18
Synonyms
None
SMILES
O[C@@]12[C@@H](O)[C@H](O)[C@@H](O)[C@H](N2)CC1
Tpsa
92.95
Logp
-2.4767
H Acceptors
5
H Donors
5
Rotatable Bonds
0
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 127414-85-1 | 8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, (1R,2S,3R,4S,5R)- | A2B Chem | -- |
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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: C₇H₁₃NO₄
Molecular Weight: 175.18
Synonyms: None
SMILES: O[C@@]12[C@@H](O)[C@H](O)[C@@H](O)[C@H](N2)CC1
Tpsa: 92.95
Logp: -2.4767
H Acceptors: 5
H Donors: 5
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₃NO₄
Molecular Weight:
175.18
Synonyms:
None
SMILES:
O[C@@]12[C@@H](O)[C@H](O)[C@@H](O)[C@H](N2)CC1
Tpsa:
92.95
Logp:
-2.4767
H Acceptors:
5
H Donors:
5
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD10487691
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₇NO₁₀
Molecular Weight: 465.45
Synonyms: None
SMILES: COC1=CC=C(/C=N/[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)C=C1
Tpsa: 136.02
Logp: 1.1972
H Acceptors: 11
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
MFCD10487691
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₇NO₁₀
Molecular Weight:
465.45
Synonyms:
None
SMILES:
COC1=CC=C(/C=N/[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)C=C1
Tpsa:
136.02
Logp:
1.1972
H Acceptors:
11
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: MFCD14586330
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₁H₄₁N₅O₈
Molecular Weight: 731.79
Synonyms: None
SMILES: O[C@H]1[C@@H](OCCOC)[C@H](N2C(N=CN=C3NC(C4=CC=CC=C4)=O)=C3N=C2)O[C@@H]1COC(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
Tpsa: 148.31
Logp: 5.3944
H Acceptors: 12
H Donors: 2
Rotatable Bonds: 15
Purity:
98%
MDL No:
MFCD14586330
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₁H₄₁N₅O₈
Molecular Weight:
731.79
Synonyms:
None
SMILES:
O[C@H]1[C@@H](OCCOC)[C@H](N2C(N=CN=C3NC(C4=CC=CC=C4)=O)=C3N=C2)O[C@@H]1COC(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
Tpsa:
148.31
Logp:
5.3944
H Acceptors:
12
H Donors:
2
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₉ClN₆O₄
Molecular Weight: 382.80
Synonyms: (3aS,4S,6R,6aR)-6-(6-amino-2-chloro-9H-purin-9-yl)-N-ethyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
SMILES: CC1(C)O[C@H]2[C@@H](O1)[C@H](N3C(N=C(Cl)N=C4N)=C4N=C3)O[C@@H]2C(NCC)=O
Tpsa: 126.41
Logp: 0.6155
H Acceptors: 9
H Donors: 2
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:
C₁₅H₁₉ClN₆O₄
Molecular Weight:
382.80
Synonyms:
(3aS,4S,6R,6aR)-6-(6-amino-2-chloro-9H-purin-9-yl)-N-ethyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
SMILES:
CC1(C)O[C@H]2[C@@H](O1)[C@H](N3C(N=C(Cl)N=C4N)=C4N=C3)O[C@@H]2C(NCC)=O
Tpsa:
126.41
Logp:
0.6155
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
3