About bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate
bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate (PubChem CID 159988286) has the molecular formula C170H199BrClN9O85
and a molecular weight of 3843.80 g/mol. Its IUPAC name is bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate.
Frequently Asked Questions
What is the IUPAC name of bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate?
The IUPAC name of bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate (CID 159988286) is bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate.
What is the SMILES notation for bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate?
The canonical SMILES for bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate is CC(=O)OC[C@H]1O[C@@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2[NH2+][O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CO)cc2N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CO)cc2NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CO)cc2[NH2+][O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.O.O.O.O=C(Cl)CCNC(=O)OCC1c2ccccc2-c2ccccc21.O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1.O=Cc1ccc(O)c([NH2+][O-])c1.
What is the InChIKey of bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate?
The InChIKey is QFHUJLTXWZCROY-RGKFIEDHSA-N. The full InChI is InChI=1S/C39H42N2O14.C21H27NO12.C21H25NO12.C21H27NO11.C18H16ClNO3.C16H22O11.C14H19BrO9.C13H8N2O7.C7H7NO3.3H2O/c1-21(43)49-20-33-35(51-22(2)44)36(52-23(3)45)37(53-24(4)46)38(55-33)54-32-14-13-25(18-42)17-31(32)41-34(47)15-16-40-39(48)50-19-30-28-11-7-5-9-26(28)27-10-6-8-12-29(27)30;2*1-10(24)29-9-17-18(30-11(2)25)19(31-12(3)26)20(32-13(4)27)21(34-17)33-16-6-5-14(8-23)7-15(16)22-28;1-10(24)28-9-17-18(29-11(2)25)19(30-12(3)26)20(31-13(4)27)21(33-17)32-16-6-5-14(8-23)7-15(16)22;19-17(21)9-10-20-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21;1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19;16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20;9-4-5-1-2-7(10)6(3-5)8-11;;;/h5-14,17,30,33,35-38,42H,15-16,18-20H2,1-4H3,(H,40,48)(H,41,47);5-7,17-21,23H,8-9,22H2,1-4H3;5-8,17-21H,9,22H2,1-4H3;5-7,17-21,23H,8-9,22H2,1-4H3;1-8,16H,9-11H2,(H,20,22);12-16H,6H2,1-5H3;10-14H,5H2,1-4H3;1-8H;1-4,10H,8H2;3*1H2/t33-,35+,36+,37-,38-;3*17-,18+,19+,20-,21-;;12-,13+,14+,15-,16-;10-,11+,12+,13-,14-;;;;;/m1111.11...../s1.
What are the key properties of bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate?
bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate has a molecular weight of 3843.80 g/mol, XLogP of 7.00, 62 rotatable bonds, 11 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate is sourced from PubChem (CID 159988286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).