2,3,5-Tri-O-benzyl-1-O-(4-nitrobenzoyl)-D-arabinofuranose

HCID 97076CAS 52522-49-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIKey
VBDBDZHLJKDSSB-UFRUDBOASA-N
Molecular formula
C33H31NO8
Average molar mass
569.6 g/mol

Names & identifiers

Preferred name
2,3,5-Tri-O-benzyl-1-O-(4-nitrobenzoyl)-D-arabinofuranose
IUPAC
[(3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] 4-nitrobenzoate
English name
2,3,5-tri-O-benzyl-1,0-(4-nitrobenzoyl)-D-arabinofuranose
Molecular formula
C33H31NO8
Molecular weight
569.6

Names & synonyms

52522-49-32,3,5-Tri-O-benzyl-1-O-(4-nitrobenzoyl)-D-arabinofuranose2,3,5-TRI-O-BENZYL-1-O-P-NITROBENZOYL-D-ARABINOFURANOSEMFCD00038477C33H31NO8[(3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] 4-nitrobenzoateD-Arabinofuranose,2,3,5-tris-O-(phenylmethyl)-, 4-nitrobenzoate (9CI)CHEMBL5406328D-Arabinofuranose, 2,3,5-tris-O-(phenylmethyl)-, 4-nitrobenzoate2,3,5-Tri-O-benzyl-D-arabinofuranose 1-(4-nitrobenzoate)(3S,4R,5R)-3,4-BIS(BENZYLOXY)-5-[(BENZYLOXY)METHYL]OXOLAN-2-YL 4-NITROBENZOATE[(3S,4R,5R)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl] 4-nitrobenzoate
Show more names
2,3,5-tri-O-benzyl-12,3,5-Tri-O-Benzyl-1-O-(4-NitrIntermediate of fludarabine phosphate2,3,5-TRI-O-BENZYL-D-ARABINOFURANOSE-1-2,3,5-TRI-O-BENZYL-D-ARABINOFURANOSE 4-NITROBENZOATE2,3,5-Tri-benzyl-1-O-(4-nitrobenzoyl)-D-arabinfuranose
(3S,4S,5R)-3,4-bis(phenylmethoxy)-5-[(phenylmethoxy)methyl]oxolan-2-yl 4-nitro benzoateEINECS 257-992-5D-Arabinofuranose,2,3,5-tris-O-(phenylmethyl)-, 4-nitrobenzoate4-Nitrobenzoate 2,3,5-tri-O-benzyl-D-arabinofuranoseSCHEMBL63134884-Nitrobenzoate 2,3,5-tris-O-benzyl-D-arabinofuranoseVBDBDZHLJKDSSB-UFRUDBOASA-NBDBM50626497

Database identifiers

CAS
52522-49-3
PubChem CID
97076
ChEMBL
CHEMBL5406328
EC Number
257-992-5
Nikkaji
J295.689F

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
109 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
13
Heavy atoms
42

Physicochemical properties

Melting point
86 · 86-88 °C(lit.)
Boiling point
633.08 °C · 633.08°C (rough estimate)
Density
1.262 · 1.2620 (rough estimate)
refractive index
1.596 · 1.5960 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), DMSO (Slightly)

Safety & regulation

Safety data

wgk
3
hs_code
29400090
safety_code
24/25

Chemistry & industry

Upstream & downstream products

Suppliers50 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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