CS-0907365
5-(Acetylamino)-N,N′-bis(2,3-dihydroxypropyl)diiodobenzene-1,3-dicarboxamide
Manufacturer: ChemScene
CAS Number: None
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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
C₁₇H₂₅I₂N₃O₇
Molecular Weight
637.21
Synonyms
None
SMILES
OCC(O)CNC(C1=CC(C(NCC(O)CO)=O)=C(I)C(NC(C)=O)=C1)=O.IC
Tpsa
168.22
Logp
-0.5332
H Acceptors
7
H Donors
7
Rotatable Bonds
9
Other Options
...
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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: C₁₇H₂₅I₂N₃O₇
Molecular Weight: 637.21
Synonyms: None
SMILES: OCC(O)CNC(C1=CC(C(NCC(O)CO)=O)=C(I)C(NC(C)=O)=C1)=O.IC
Tpsa: 168.22
Logp: -0.5332
H Acceptors: 7
H Donors: 7
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₅I₂N₃O₇
Molecular Weight:
637.21
Synonyms:
None
SMILES:
OCC(O)CNC(C1=CC(C(NCC(O)CO)=O)=C(I)C(NC(C)=O)=C1)=O.IC
Tpsa:
168.22
Logp:
-0.5332
H Acceptors:
7
H Donors:
7
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄ClNO₂
Molecular Weight: 215.68
Synonyms: None
SMILES: CC(OC([N+]1=CC=CC=C1)=O)(C)C.[Cl-]
Tpsa: 30.18
Logp: -1.2387
H Acceptors: 2
H Donors: 0
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:
C₁₀H₁₄ClNO₂
Molecular Weight:
215.68
Synonyms:
None
SMILES:
CC(OC([N+]1=CC=CC=C1)=O)(C)C.[Cl-]
Tpsa:
30.18
Logp:
-1.2387
H Acceptors:
2
H Donors:
0
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: C₂₀₂H₃₁₅N₈₃O₅₈
Molecular Weight: 4834.18
Synonyms: APTscr-9R
SMILES: O=C(N[C@@H](C)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(N)=O)C(NCC(N[C@@H](CO)C(N[C@@H](CC1=CNC2=CC=CC=C12)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC3=CNC4=CC=CC=C34)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(N)=O)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CC5=CNC6=CC=CC=C56)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC7=CNC8=CC=CC=C78)C(N[C@@H](CCCCN)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CC9=CNC=N9)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(NCC(NCC(NCC(NCC(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC%10=CNC=N%10)N
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀₂H₃₁₅N₈₃O₅₈
Molecular Weight:
4834.18
Synonyms:
APTscr-9R
SMILES:
O=C(N[C@@H](C)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(N)=O)C(NCC(N[C@@H](CO)C(N[C@@H](CC1=CNC2=CC=CC=C12)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC3=CNC4=CC=CC=C34)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(N)=O)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CC5=CNC6=CC=CC=C56)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC7=CNC8=CC=CC=C78)C(N[C@@H](CCCCN)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CC9=CNC=N9)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(NCC(NCC(NCC(NCC(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC%10=CNC=N%10)N
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃NO₄
Molecular Weight: 223.23
Synonyms: None
SMILES: CC[C@@]1(C2=C(COC(C1)=O)C(NC=C2)=O)O
Tpsa: 79.39
Logp: 0.4194
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃NO₄
Molecular Weight:
223.23
Synonyms:
None
SMILES:
CC[C@@]1(C2=C(COC(C1)=O)C(NC=C2)=O)O
Tpsa:
79.39
Logp:
0.4194
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1