CAS
95648-76-3 Purity
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95648-76-3 Purity
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Thymidine-3-phosphoric acid 4-nitro-phe nyl est. na-salt
CAS
95648-79-6
Catalog Number
ACM95648796
Category
Other Products
Molecular Weight
465.28
Molecular Formula
C16H17N3NaO10P
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Specification
Synonyms
89298_FLUKA, EINECS 306-020-9, Thymidine 3-phosphate 4-nitrophenyl ester sodium salt, 3-Thymidylic acid, mono(4-nitrophenyl) ester, monosodium salt, 95648-79-6
IUPAC Name
sodium;[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] (4-nitrophenyl) phosphate
InChI Key
ALVXKBPRRBVMGD-SOIKFHLCSA-M
Exact Mass
465.05500
H-Bond Acceptor
10
H-Bond Donor
2
What is the molecular formula of Thymidine-3-phosphoric acid 4-nitro-phenyl est. na-salt?
The molecular formula is C16H17N3NaO10P.
What is the molecular weight of Thymidine-3-phosphoric acid 4-nitro-phenyl est. na-salt?
The molecular weight is 465.28 g/mol.
What is the IUPAC name of Thymidine-3-phosphoric acid 4-nitro-phenyl est. na-salt?
The IUPAC name is sodium;[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] (4-nitrophenyl) phosphate.
What is the Canonical SMILES of Thymidine-3-phosphoric acid 4-nitro-phenyl est. na-salt?
The Canonical SMILES is CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)([O-])OC3=CC=C(C=C3)[N+](=O)[O-].[Na+].
What is the InChIKey of Thymidine-3-phosphoric acid 4-nitro-phenyl est. na-salt?
The InChIKey is ALVXKBPRRBVMGD-SOIKFHLCSA-M.
How many hydrogen bond donor counts are there in Thymidine-3-phosphoric acid 4-nitro-phenyl est. na-salt?
There are 2 hydrogen bond donor counts.
What is the hydrogen bond acceptor count of Thymidine-3-phosphoric acid 4-nitro-phenyl est. na-salt?
The hydrogen bond acceptor count is 10.
How many defined atom stereocenter counts are in Thymidine-3-phosphoric acid 4-nitro-phenyl est. na-salt?
There are 3 defined atom stereocenter counts.
What is the exact mass of Thymidine-3-phosphoric acid 4-nitro-phenyl est. na-salt?
The exact mass is 465.05492503 g/mol.
When was Thymidine-3-phosphoric acid 4-nitro-phenyl est. na-salt created and modified in the database?
It was created on 2007-07-16 and modified on 2023-12-30.
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