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5'-Protected 2,2'-anhydrouridine

CAT: 0931-TNU0945-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0945-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
173170-12-2
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Bioactivity
Nucleoside Derivatives - Anhydro-nucleosides; Protected nucleosides with NH2/OH group
Smiles
C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H])(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
Molecular Formula
C30H28N2O7
Molecular Weight
528.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2R,3R,3aS,9aR)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-hydroxy-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one
CAS Number173170-12-2
PubChem CID6612319
IUPAC Name(2R,4R,5R,6S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-hydroxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
Molecular FormulaC30H28N2O7
Molecular Weight528.6
XLogP2.1
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity894
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]5[C@@H](O4)N6C=CC(=O)N=C6O5)O
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36-2)15-11-21)37-18-24-26(34)27-28(38-24)32-17-16-25(33)31-29(32)39-27/h3-17,24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChIKey
OEIRLWHCGAICDW-AOGFTHLWSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,3aS,9aR)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-hydroxy-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one
CAS: 173170-12-2
CID: 6612319
Formula: C30H28N2O7
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass528.18965124
Monoisotopic Mass528.18965124
Topological Polar Surface Area99.1 Ų
Heavy Atom Count39
Formal Charge0
Complexity894
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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