Lactobionic Acid
PubChem CID: 7314
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| Compound Synonyms | LACTOBIONIC ACID, 96-82-2, 4-O-beta-D-Galactopyranosyl-D-gluconic acid, 4-(beta-D-Galactosido)-D-gluconic acid, lactobionate, DTXSID3048861, CHEBI:55481, 65R938S4DV, EINECS 202-538-3, MFCD00078147, LACTOBIONIC ACID [II], LACTOBIONIC ACID [MI], (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid, D-Gluconic acid, 4-O-b-D-galactopyranosyl-, DTXCID6028787, LACTOBIONIC ACID [MART.], LACTOBIONIC ACID [USP-RS], LACTOBIONIC ACID [WHO-DD], D-Gluconic acid, 4-O-.beta.-D-galactopyranosyl-, LACTOBIONIC ACID [EP IMPURITY], LACTOBIONIC ACID [EP MONOGRAPH], LACTOBIONIC ACID (II), LACTOBIONIC ACID (MART.), LACTOBIONIC ACID (USP-RS), LACTOBIONIC ACID (EP IMPURITY), LACTOBIONIC ACID (EP MONOGRAPH), C12H22O12, UNII-65R938S4DV, maltobionic-acid, CAS-96-82-2, copper lactobionate, ferric lactobionate, NCGC00016356-01, (2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanoic acid, Prestwick_560, Lactobionic acid, purum, 4-O-B-D-galactopyranosyl-D-gluconic acid, Lactobionic acid, 97%, 110638-68-1, Prestwick0_000452, Prestwick1_000452, Prestwick2_000452, Prestwick3_000452, SCHEMBL24870, BSPBio_000524, (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid, SPBio_002463, BPBio1_000578, LACTOBIONIC ACID [INCI], CHEMBL3039602, HMS1569K06, HMS2096K06, HY-N7059, Methyl (R)-(-)-2-Chloromandelate, Tox21_113353, s4964, AKOS015896798, AKOS015924795, Tox21_113353_1, CCG-214227, CS-W011829, Lactobionic acid, cell impermeant agent, OL03220, NCGC00179532-01, NCGC00179532-03, 4-O-beta-galactopyranosyl-d-gluconic acid, AS-16070, DA-54763, 4-O-ss-D-galactopyranosyl-D-gluconic acid, L0005, NS00014344, C22921, D70310, Q6138969, BRD-K01624185-001-05-7, D-GLUCONIC ACID, 4-O-BETA-D-GALACTOPYRANOSYL-, D0229170-C0EC-40FC-A777-BF34018EED2A, Lactobionic acid, European Pharmacopoeia (EP) Reference Standard, (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)hexanoic acid, 2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid, 202-538-3 |
|---|---|
| Topological Polar Surface Area | 218.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Uniprot Id | n.a., P0DTD1 |
| Iupac Name | (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | -5.0 |
| Molecular Formula | C12H22O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JYTUSYBCFIZPBE-AMTLMPIISA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | 0.356 |
| Rotatable Bond Count | 8.0 |
| Logd | -3.336 |
| Compound Name | Lactobionic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.111 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.5913648000000005 |
| Inchi | InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all