Basic information
- CAS
4988-54-9- Standard SMILES
O=c1nc(NO)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
DYOUVDKCXLKHKY-XVFCMESISA-N- Molecular formula
- C9H14N3O9P
- Average molar mass
- 339.2 g/mol
- Monoisotopic mass
- 339.04676603
Names & identifiers
- Preferred name
- N-Hydroxycytidine 5'-(Dihydrogen Phosphate)
- IUPAC
- [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
- English name
- 5'-Uridylic acid, 4-oxime
- Molecular formula
- C9H14N3O9P
- Molecular weight
- 339.2
Names & synonyms
4988-54-9N-Hydroxycytidine 5'-(Dihydrogen Phosphate)N4-OH-CMP[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphateBRN 0847593N(sup 4)-Hydroxycytidine monophosphate5'-Uridylic acid, 4-oximeCYTIDINE, N-HYDROXY-, 5'-(DIHYDROGENPHOSPHATE)CHEMBL2221214SCHEMBL21345254DTXSID10964462AT28496
Show more names
β-D-N4-hydroxycytidine-5'-monophosphate{[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino )-2-oxo-1,2-dihydropyrimidin-1-yl]oxolan-2-yl]met hoxy}phosphonic acid
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxo-1,2-dihydropyrimidin-1-yl]oxolan-2-yl]methoxy}phosphonic acidEN300-33051129N-hydroxycytidine 5'-(dihydrogen phosphate) tautomerQ274517234-(Hydroxyamino)-1-(5-O-phosphonopentofuranosyl)pyrimidin-2(1H)-oneN4-OH-CMP, N-Hydroxycytidine 5'-(Dihydrogen Phosphate), Molnupiravir monophosphate((2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate((2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyldihydrogenphosphate
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Density
- 2.18 · 2.18±0.1 g/cm3(Predicted)
- pka
- 1.86 · 1.86±0.10(Predicted)
Chemistry & industry
Suppliers16 total
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
上海策嵘生物科技有限公司[email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
河南伊诺凯新材料有限公司15764055027 15764055027 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
上海杰瑞兴生物医药科技有限公司17521512546 17721492509 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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