(2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid

C39H71N2O41P3 — CID 91848073

About (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid

(2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid (PubChem CID 91848073) has the molecular formula C39H71N2O41P3 and a molecular weight of 1316.89 g/mol. Its IUPAC name is (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid
• PubChem CID: 91848073
• Molecular Formula: C39H71N2O41P3
• Molecular Weight: 1316.89 g/mol
• Exact Mass: 1316.27
• IUPAC Name: (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid
• SMILES: N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@@H](OP(=O)(O)O)[C@@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](OP(=O)(O)O)[C@@H]4O)[C@@H]([C@H](O)CO)O3)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]2N)O[C@@H]1O
• InChI: InChI=1S/C39H71N2O41P3/c40-15-19(50)18(49)13(71-33(15)57)6-69-34-16(41)20(51)29(81-84(63,64)65)14(74-34)7-70-39(38(58)59)1-10(80-83(60,61)62)30(27(79-39)9(47)3-43)77-37-25(56)31(82-85(66,67)68)32(26(75-37)8(46)2-42)78-36-24(55)22(53)28(12(5-45)73-36)76-35-23(54)21(52)17(48)11(4-44)72-35/h8-37,42-57H,1-7,40-41H2,(H,58,59)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23+,24+,25-,26+,27+,28-,29+,30+,31+,32+,33-,34+,35+,36-,37+,39+/m0/s1
• InChIKey: FNVCHJRGUIZOAB-BOWQSRPRSA-N
• XLogP: -14.61
• TPSA: 714.83 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1316.89
LogP ≤ 5	-14.61
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid?

The IUPAC name of (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid (CID 91848073) is (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid.

What is the SMILES notation for (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid?

The canonical SMILES for (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid is N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@@H](OP(=O)(O)O)[C@@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](OP(=O)(O)O)[C@@H]4O)[C@@H]([C@H](O)CO)O3)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]2N)O[C@@H]1O.

What is the InChIKey of (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid?

The InChIKey is FNVCHJRGUIZOAB-BOWQSRPRSA-N. The full InChI is InChI=1S/C39H71N2O41P3/c40-15-19(50)18(49)13(71-33(15)57)6-69-34-16(41)20(51)29(81-84(63,64)65)14(74-34)7-70-39(38(58)59)1-10(80-83(60,61)62)30(27(79-39)9(47)3-43)77-37-25(56)31(82-85(66,67)68)32(26(75-37)8(46)2-42)78-36-24(55)22(53)28(12(5-45)73-36)76-35-23(54)21(52)17(48)11(4-44)72-35/h8-37,42-57H,1-7,40-41H2,(H,58,59)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23+,24+,25-,26+,27+,28-,29+,30+,31+,32+,33-,34+,35+,36-,37+,39+/m0/s1.

What are the key properties of (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid?

(2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid has a molecular weight of 1316.89 g/mol, XLogP of -14.61, 25 rotatable bonds, 25 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid is sourced from PubChem (CID 91848073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).