Cas no 33405-80-0 (4(3H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-6-(2-hydroxy-1-oxopropyl)-)
33405-80-0 structure
Product Name:4(3H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-6-(2-hydroxy-1-oxopropyl)-
CAS No:33405-80-0
MF:C9H13N5O3
MW:239.231220960617
CID:306101
PubChem ID:135398702
Update Time:2025-04-19
4(3H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-6-(2-hydroxy-1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-6-(2-hydroxy-1-oxopropyl)-
- 2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-1H-pteridin-4-one
- 6-Lactoyl tetrahydropterin
- Lactoyl-PH4
- 2-amino-6-(2-hydroxypropanoyl)-3,4,5,6,7,8-hexahydropteridin-4-one
- ZINC00901992
- 2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydropteridin-4(3H)-one
- CHEBI:17248
- Dihydrobiopterin (H2B)
- 6-1'-Oxo-2'-hydroxypropyl tetrahydropterin
- NS00120778
- C04244
- 2-amino-6-lactoyl-5,6,7,8-tetrahydropteridin-4(3H)-one
- 2-Hydroxy-1-(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)propan-1-one
- Lactoyl-H4-pterin
- 6-Lactoyl-5,6,7,8-tetrahydropterin
- 33405-80-0
- 4(1H)-Pteridinone, 2-amino-5,6,7,8-tetrahydro-6-(2-hydroxy-1-oxopropyl)-, (S)-
- 2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
- Q27102282
- BDBM31792
- 6-Lactoyltetrahydropterin
- SCHEMBL1858785
- DTXSID10955032
-
- Inchi： 1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)
- InChI Key： HKCYZTKHPLJZDR-UHFFFAOYSA-N
- SMILES： O=C(C(C)O)C1CNC2=C(C(NC(N)=N2)=O)N1
Computed Properties
- Exact Mass: 239.10199
- Monoisotopic Mass: 239.101839
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 442
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 129
- XLogP3: -1.6
Experimental Properties
- Density: 1.88
- Boiling Point: 478.3°Cat760mmHg
- Flash Point: 243.1°C
- Refractive Index: 1.821
- PSA: 128.84
4(3H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-6-(2-hydroxy-1-oxopropyl)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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