Turanose, d-
PubChem CID: 5460935
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| Compound Synonyms | Turanose, Turanose (van), beta-turanose, 6D600ARY3R, TURANOSE [MI], TURANOSE, D-, D-(+)-Turanose (VAN), D-Fructose, 3-O-.alpha.-D-glucopyranosyl-, CHEBI:32528, alpha-D-Glcp-(1->3)-D-Fru, DTXSID90876998, NSC 1222, NSC-1222, EINECS 208-918-5, D-Fructose, 3-O-alpha-D-glucopyranosyl-, alpha-D-glucopyranosyl-(1->3)-D-fructose, 3-(.ALPHA.-D-GLUCOSIDO)-D-FRUCTOSE, alpha-D-glucopyranose-(1->3)-beta-D-fructose, (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one, (3S,4R,5R)-1,4,5,6-Tetrahydroxy-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexan-2-one, (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-one, (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)hexan-2-one, (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyhexan-2-one, 3-O-a-D-glucopyranosyl-D-Fructose, Glc(a1-3)keto-Fru, Turanose (VAN) (8CI), UNII-6D600ARY3R, SCHEMBL37172, 3-O-hexopyranosylhex-2-ulose, RULSWEULPANCDV-PIXUTMIVSA-N, DTXCID601015082, 3-(alpha-D-glucosido)-D-fructose, G83837EB, s9448, HY-113334, CS-0059630, C19636, 6DC826C6-9BDF-4B8B-AB8B-1E54ECA76A55, 3-O-alpha-D-glucosyl-D-fructose, 3-O-D-glucosyl-D-fructose, 3-O-glucosyl-D-fructose, 208-918-5, OTU |
|---|---|
| Topological Polar Surface Area | 197.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 378.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | -4.8 |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RULSWEULPANCDV-PIXUTMIVSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -4.566 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.657 |
| Compound Name | Turanose, d- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.6149586 |
| Inchi | InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients