2-[5-deoxy-5-(1H-indol-1-yl)pentofuranosyl]-1,2,4-triazine-3,5(2H,4H)-dione 53383-02-1 CAS NO.53383-02-1

Min.Order: 1 Gram
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Product Details

Keywords

2-[3,4-dihydroxy-5-(indol-1-ylmethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
2-[5-deoxy-5-(1H-indol-1-yl)pentofuranosyl]-1,2,4-triazine-3,5(2H,4H)-dione
53383-02-1

Quick Details

ProName: 2-[5-deoxy-5-(1H-indol-1-yl)pentofuran...
CasNo: 53383-02-1
Molecular Formula: C16H16N4O5
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
2-[5-deoxy-5-(1H-indol-1-yl)pentofuranosyl]-1,2,4-triazine-3,5(2H,4H)-dione
【Iupac name】
2-[3,4-dihydroxy-5-(indol-1-ylmethyl)oxolan-2-yl]-1,2,4-triazine-3,
5-dione
【CAS Registry number】
53383-02-1
【Synonyms】
NSC238144
AC1L7QZJ
NSC-238144
1,4-Triazine-3,5(2H,4H)-dione, 2-[5-deoxy-5-(1H-indol-1-yl)-.beta.-D-ribofuranosyl]-
2-[3,4-dihydroxy-5-(indol-1-ylmethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
53383-02-1
【Molecular Formula】
C16H16N4O5 (Products with the same molecular formula)
【Molecular Weight】
344.322
【Inchi】
InChI=1/C16H16N4O5/c21-12-7-17-20(16(24)18-12)15-14(23)13(22)11(25-15)8-19-6-5-9-3-1-2-4-10(9)19/h1-7,11,13-15,22-23H,8H2,(H,18,21,24)
【Canonical SMILES】
C1=CC=C2C(=C1)C=CN2CC3C(C(C(O3)N4C(=O)NC(=O)C=N4)O)O
【MOL File】
53383-02-1.mol
Chemical and Physical Properties
【Density】
1.69g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.778
【Flash Point】
°C
【Computed Properties】
Molecular Weight:344.32204 [g/mol]
Molecular Formula:C16H16N4O5
XLogP3:-0.3
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:3
Tautomer Count:3
Exact Mass:344.11207
MonoIsotopic Mass:344.11207
Topological Polar Surface Area:116
Heavy Atom Count:25
Formal Charge:0
Complexity:585
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Donor Count:3
Feature 3D Cation Count:1
Feature 3D Ring Count:4
Effective Rotor Count:4
Conformer Sampling RMSD:0.8
CID Conformer Count:213

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