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Molecule
Udp-Arabinose
CAS: 15839-78-8 · C14H22N2O16P2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15839-78-8
- Molecular Formula
- C14H22N2O16P2
- Molecular Mass
- 536.28 g/mol
Identifiers
CAS Registry Number
15839-78-8
SMILES
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
InChI Key
DQQDLYVHOTZLOR-IAZOVDBXSA-N
InChI
InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1
Names and Synonyms
- Udp-Arabinose Synonym
- Uridine 5′-(trihydrogen diphosphate), P′-β-L-arabinopyranosyl ester Synonym
- Uridine 5′-(trihydrogen pyrophosphate), mono-β-L-arabinopyranosyl ester Synonym
- Uridine 5′-pyrophosphate, β-L-arabinopyranosyl ester Synonym
- Uridine diphosphate arabinose Synonym
- Uridine diphosphoarabinose Synonym
- Uridine 5′-diphosphate arabinoside Synonym
- UDP-arabinose Synonym
- UDP-L-arabinose Synonym
- Uridine 5′-(trihydrogen pyrophosphate) mono-L-arabinopyranosyl ester Synonym
- Uridine 5′-(trihydrogen diphosphate) mono-L-arabinopyranosyl ester Synonym
- Uridine 5′-(trihydrogen pyrophosphate) mono-L-arabinosyl ester Synonym
- Uridine diphospho-β-L-arabinopyranose Synonym
- Uridine 5′-pyrophosphate, β-L-arabinosyl ester Synonym
- UDP-β-L-arabinopyranose Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 536.28 g/mol | CAS Common Chemistry |
| 536.2760000000002 g/mol | RDKit | |
| 536.276 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CN(C(=O)N1)C2OC(COP(=O)(O)OP(=O)(O)OC3OCC(O)C(O)C3O)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DQQDLYVHOTZLOR-IAZOVDBXSA-N | CAS Common Chemistry |
| Name | UDP-arabinose | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 16 | RDKit |
| 15 | RDKit | |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 277.02 Ų | RDKit |
| LogP | -3.742299999999999 | RDKit |
| -3.7423 | RDKit | |
| Molar Refractivity | 101.61840000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 536.0444558839998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 536.28 g/mol. Edit any field — others recompute live.
