CS-1005082
Troxerutin Impurity 9
Manufacturer: ChemScene
CAS Number: 862127-01-3
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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
C₃₁H₃₈O₁₈
Molecular Weight
698.62
Synonyms
None
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(OCCO)=C(OCCO)C=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O
Tpsa
287.89
Logp
-2.3561
H Acceptors
18
H Donors
10
Rotatable Bonds
12
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: C₃₁H₃₈O₁₈
Molecular Weight: 698.62
Synonyms: None
SMILES: O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(OCCO)=C(OCCO)C=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O
Tpsa: 287.89
Logp: -2.3561
H Acceptors: 18
H Donors: 10
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:
C₃₁H₃₈O₁₈
Molecular Weight:
698.62
Synonyms:
None
SMILES:
O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(OCCO)=C(OCCO)C=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O
Tpsa:
287.89
Logp:
-2.3561
H Acceptors:
18
H Donors:
10
Rotatable Bonds:
12
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₁₇F₃N₄O₄
Molecular Weight: 446.38
Synonyms: None
SMILES: O=C(NC1=CC=C(OC=2C=CN=C(C2)C(=O)NC)C=C1)NC3=CC=C(O)C(=C3)C(F)(F)F
Tpsa: 112.58
Logp: 4.6019
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₇F₃N₄O₄
Molecular Weight:
446.38
Synonyms:
None
SMILES:
O=C(NC1=CC=C(OC=2C=CN=C(C2)C(=O)NC)C=C1)NC3=CC=C(O)C(=C3)C(F)(F)F
Tpsa:
112.58
Logp:
4.6019
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₂₄INO
Molecular Weight: 301.21
Synonyms: None
SMILES: [I-].O(C)CCCCCC[N+](C)(C)C
Tpsa: 9.23
Logp: -1.0966
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 7
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₂₄INO
Molecular Weight:
301.21
Synonyms:
None
SMILES:
[I-].O(C)CCCCCC[N+](C)(C)C
Tpsa:
9.23
Logp:
-1.0966
H Acceptors:
1
H Donors:
0
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: C₆H₁₂O₄
Molecular Weight: 148.16
Synonyms: None
SMILES: C(O)[C@@H]1[C@H](O)CC(OC)O1
Tpsa: 58.92
Logp: -0.899
H Acceptors: 4
H Donors: 2
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:
C₆H₁₂O₄
Molecular Weight:
148.16
Synonyms:
None
SMILES:
C(O)[C@@H]1[C@H](O)CC(OC)O1
Tpsa:
58.92
Logp:
-0.899
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2