N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium)

C128H235N3O24Y2-2 — CID 159712469

IUPACN-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium)
SMILESCCC1OC(O[C@@H]2[CH-][C@H](C)OC(CC)[C@@H]2C)C(C)[C@@H](C)[C@H]1C.CCC1O[C@@H](C)C(C)C(C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@H]2OC(CC)[C@H](C)[C@H](C)C2C)[C@H](C)C1C.CCC1O[C@@H](C)C(C)[C@@H](C)[C@@H]1OC1[CH-][C@@H](C)[C@@H](OC2OC(CC)[C@H](C)[C@H](C)C2C)C(CC)O1.CCC1O[C@@H](C)C(C)[C@@H](C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@@H]2OC(CC)[C@H](C)[C@H](C)C2NC(C)=O)[C@H](C)C1C.CCC1O[C@@H](O[C@H]2C(CC)O[C@@H](C)C(NC(C)=O)[C@H]2C)C(NC(C)=O)[C@@H](C)[C@H]1C.[Y].[Y]
InChIInChI=1S/C30H55NO6.C29H54O5.C28H51O5.C22H40N2O5.C19H35O3.2Y/c1-12-23-16(5)17(6)26(31-22(11)32)30(34-23)37-28-19(8)20(9)29(35-25(28)14-3)36-27-18(7)15(4)21(10)33-24(27)13-2;1-12-23-17(6)15(4)20(9)28(31-23)34-27-19(8)21(10)29(32-25(27)14-3)33-26-18(7)16(5)22(11)30-24(26)13-2;1-11-22-18(7)16(5)20(9)28(31-22)33-26-15(4)14-25(30-23(26)12-2)32-27-19(8)17(6)21(10)29-24(27)13-3;1-9-17-11(3)12(4)20(24-16(8)26)22(28-17)29-21-13(5)19(23-15(7)25)14(6)27-18(21)10-2;1-8-16-13(5)12(4)14(6)19(21-16)22-18-10-11(3)20-17(9-2)15(18)7;;/h15-21,23-30H,12-14H2,1-11H3,(H,31,32);15-29H,12-14H2,1-11H3;14-28H,11-13H2,1-10H3;11-14,17-22H,9-10H2,1-8H3,(H,23,25)(H,24,26);10-19H,8-9H2,1-7H3;;/q;;-1;;-1;;/t15?,16-,17+,18-,19-,20?,21+,23?,24?,25?,26?,27+,28-,29+,30+;15-,16?,17+,18?,19+,20?,21?,22-,23?,24?,25?,26-,27+,28+,29-;15-,16+,17?,18-,19-,20?,21+,22?,23?,24?,25?,26-,27+,28?;11-,12+,13-,14+,17?,18?,19?,20?,21-,22+;11-,12-,13+,14?,15-,16?,17?,18+,19?;;/m10110../s1
InChIKeyNCOFJNUCOAICBJ-RCNXRYIOSA-N
MW2378.10 g/mol
LogP25.54
Rot. Bonds32

About N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium)

N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium) (PubChem CID 159712469) has the molecular formula C128H235N3O24Y2-2 and a molecular weight of 2378.10 g/mol. Its IUPAC name is N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium).

Molecular Properties

Compound NameN-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium)
PubChem CID159712469
Molecular FormulaC128H235N3O24Y2-2
Molecular Weight2378.10 g/mol
Exact Mass2376.54
IUPAC NameN-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium)
SMILESCCC1OC(O[C@@H]2[CH-][C@H](C)OC(CC)[C@@H]2C)C(C)[C@@H](C)[C@H]1C.CCC1O[C@@H](C)C(C)C(C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@H]2OC(CC)[C@H](C)[C@H](C)C2C)[C@H](C)C1C.CCC1O[C@@H](C)C(C)[C@@H](C)[C@@H]1OC1[CH-][C@@H](C)[C@@H](OC2OC(CC)[C@H](C)[C@H](C)C2C)C(CC)O1.CCC1O[C@@H](C)C(C)[C@@H](C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@@H]2OC(CC)[C@H](C)[C@H](C)C2NC(C)=O)[C@H](C)C1C.CCC1O[C@@H](O[C@H]2C(CC)O[C@@H](C)C(NC(C)=O)[C@H]2C)C(NC(C)=O)[C@@H](C)[C@H]1C.[Y].[Y]
InChIInChI=1S/C30H55NO6.C29H54O5.C28H51O5.C22H40N2O5.C19H35O3.2Y/c1-12-23-16(5)17(6)26(31-22(11)32)30(34-23)37-28-19(8)20(9)29(35-25(28)14-3)36-27-18(7)15(4)21(10)33-24(27)13-2;1-12-23-17(6)15(4)20(9)28(31-23)34-27-19(8)21(10)29(32-25(27)14-3)33-26-18(7)16(5)22(11)30-24(26)13-2;1-11-22-18(7)16(5)20(9)28(31-22)33-26-15(4)14-25(30-23(26)12-2)32-27-19(8)17(6)21(10)29-24(27)13-3;1-9-17-11(3)12(4)20(24-16(8)26)22(28-17)29-21-13(5)19(23-15(7)25)14(6)27-18(21)10-2;1-8-16-13(5)12(4)14(6)19(21-16)22-18-10-11(3)20-17(9-2)15(18)7;;/h15-21,23-30H,12-14H2,1-11H3,(H,31,32);15-29H,12-14H2,1-11H3;14-28H,11-13H2,1-10H3;11-14,17-22H,9-10H2,1-8H3,(H,23,25)(H,24,26);10-19H,8-9H2,1-7H3;;/q;;-1;;-1;;/t15?,16-,17+,18-,19-,20?,21+,23?,24?,25?,26?,27+,28-,29+,30+;15-,16?,17+,18?,19+,20?,21?,22-,23?,24?,25?,26-,27+,28+,29-;15-,16+,17?,18-,19-,20?,21+,22?,23?,24?,25?,26-,27+,28?;11-,12+,13-,14+,17?,18?,19?,20?,21-,22+;11-,12-,13+,14?,15-,16?,17?,18+,19?;;/m10110../s1
InChIKeyNCOFJNUCOAICBJ-RCNXRYIOSA-N
XLogP25.54
TPSA281.13 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms157
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.10
LogP ≤ 525.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium)?
The IUPAC name of N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium) (CID 159712469) is N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium).
What is the SMILES notation for N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium)?
The canonical SMILES for N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium) is CCC1OC(O[C@@H]2[CH-][C@H](C)OC(CC)[C@@H]2C)C(C)[C@@H](C)[C@H]1C.CCC1O[C@@H](C)C(C)C(C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@H]2OC(CC)[C@H](C)[C@H](C)C2C)[C@H](C)C1C.CCC1O[C@@H](C)C(C)[C@@H](C)[C@@H]1OC1[CH-][C@@H](C)[C@@H](OC2OC(CC)[C@H](C)[C@H](C)C2C)C(CC)O1.CCC1O[C@@H](C)C(C)[C@@H](C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@@H]2OC(CC)[C@H](C)[C@H](C)C2NC(C)=O)[C@H](C)C1C.CCC1O[C@@H](O[C@H]2C(CC)O[C@@H](C)C(NC(C)=O)[C@H]2C)C(NC(C)=O)[C@@H](C)[C@H]1C.[Y].[Y].
What is the InChIKey of N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium)?
The InChIKey is NCOFJNUCOAICBJ-RCNXRYIOSA-N. The full InChI is InChI=1S/C30H55NO6.C29H54O5.C28H51O5.C22H40N2O5.C19H35O3.2Y/c1-12-23-16(5)17(6)26(31-22(11)32)30(34-23)37-28-19(8)20(9)29(35-25(28)14-3)36-27-18(7)15(4)21(10)33-24(27)13-2;1-12-23-17(6)15(4)20(9)28(31-23)34-27-19(8)21(10)29(32-25(27)14-3)33-26-18(7)16(5)22(11)30-24(26)13-2;1-11-22-18(7)16(5)20(9)28(31-22)33-26-15(4)14-25(30-23(26)12-2)32-27-19(8)17(6)21(10)29-24(27)13-3;1-9-17-11(3)12(4)20(24-16(8)26)22(28-17)29-21-13(5)19(23-15(7)25)14(6)27-18(21)10-2;1-8-16-13(5)12(4)14(6)19(21-16)22-18-10-11(3)20-17(9-2)15(18)7;;/h15-21,23-30H,12-14H2,1-11H3,(H,31,32);15-29H,12-14H2,1-11H3;14-28H,11-13H2,1-10H3;11-14,17-22H,9-10H2,1-8H3,(H,23,25)(H,24,26);10-19H,8-9H2,1-7H3;;/q;;-1;;-1;;/t15?,16-,17+,18-,19-,20?,21+,23?,24?,25?,26?,27+,28-,29+,30+;15-,16?,17+,18?,19+,20?,21?,22-,23?,24?,25?,26-,27+,28+,29-;15-,16+,17?,18-,19-,20?,21+,22?,23?,24?,25?,26-,27+,28?;11-,12+,13-,14+,17?,18?,19?,20?,21-,22+;11-,12-,13+,14?,15-,16?,17?,18+,19?;;/m10110../s1.
What are the key properties of N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium)?
N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium) has a molecular weight of 2378.10 g/mol, XLogP of 25.54, 32 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S,5R)-2-[(3R,4R,6S)-5-acetamido-2-ethyl-4,6-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl]acetamide;(3R,4S)-2-ethyl-6-[[(3R,4R,6S)-2-ethyl-3,6-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]oxy]-3,4,5-trimethyloxane;N-[(2S,4S,5R)-6-ethyl-2-[(3R,4R,6S)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]acetamide;(3S,4R,6S)-2-ethyl-3-[[(4R,5R)-6-ethyl-5-[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]-4,5,6-trimethyloxane;(3R,4R,6S)-2-ethyl-3-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane;bis(yttrium) is sourced from PubChem (CID 159712469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).