CS-1004911
7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-(2-hydroxyethoxy)-2-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-4H-1-benzopyran-4-one
Manufacturer: ChemScene
CAS Number: 80604-69-9
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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
C₃₂H₄₀O₁₇
Molecular Weight
696.65
Synonyms
None
SMILES
O(CCO)C1=C2C(OC(=CC2=O)C3=CC(OCCO)=C(OC)C=C3)=CC(O[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)=C1
Tpsa
256.66
Logp
-1.7587
H Acceptors
17
H Donors
8
Rotatable Bonds
13
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: C₃₂H₄₀O₁₇
Molecular Weight: 696.65
Synonyms: None
SMILES: O(CCO)C1=C2C(OC(=CC2=O)C3=CC(OCCO)=C(OC)C=C3)=CC(O[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)=C1
Tpsa: 256.66
Logp: -1.7587
H Acceptors: 17
H Donors: 8
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₄₀O₁₇
Molecular Weight:
696.65
Synonyms:
None
SMILES:
O(CCO)C1=C2C(OC(=CC2=O)C3=CC(OCCO)=C(OC)C=C3)=CC(O[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)=C1
Tpsa:
256.66
Logp:
-1.7587
H Acceptors:
17
H Donors:
8
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₈N₄O
Molecular Weight: 152.15
Synonyms: None
SMILES: O=C(N)NNC1=NC=CC=C1
Tpsa: 80.04
Logp: 0.0768
H Acceptors: 3
H Donors: 3
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:
C₆H₈N₄O
Molecular Weight:
152.15
Synonyms:
None
SMILES:
O=C(N)NNC1=NC=CC=C1
Tpsa:
80.04
Logp:
0.0768
H Acceptors:
3
H Donors:
3
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: C₁₀H₁₅NO₄
Molecular Weight: 213.23
Synonyms: None
SMILES: C(C(O)=O)[C@H]1C[C@@H](CC#N)OC(C)(C)O1
Tpsa: 79.55
Logp: 1.28498
H Acceptors: 4
H Donors: 1
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:
C₁₀H₁₅NO₄
Molecular Weight:
213.23
Synonyms:
None
SMILES:
C(C(O)=O)[C@H]1C[C@@H](CC#N)OC(C)(C)O1
Tpsa:
79.55
Logp:
1.28498
H Acceptors:
4
H Donors:
1
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: C₂₀H₂₂N₇O₆+
Molecular Weight: 456.43
Synonyms: None
SMILES: O=C1C=2[N+]=3C(CN(C3)C4=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C4)(CNC2NC(N)=N1)[H]
Tpsa: 193.75
Logp: -0.6135
H Acceptors: 8
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:
C₂₀H₂₂N₇O₆+
Molecular Weight:
456.43
Synonyms:
None
SMILES:
O=C1C=2[N+]=3C(CN(C3)C4=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C4)(CNC2NC(N)=N1)[H]
Tpsa:
193.75
Logp:
-0.6135
H Acceptors:
8
H Donors:
6
Rotatable Bonds:
7