(2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C44H54N4O24 — CID 162705015

IUPAC(2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@](O)(c2c3nc(c([C@]4(O)[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]4O)c4nc(c([C@]5(O)[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]5O)c5ccc([nH]5)c([C@]5(O)[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]5O)c5ccc2[nH]5)C=C4)C=C3)[C@H]1O
InChIInChI=1S/C44H54N4O24/c49-9-21-29(53)41(65,33(57)37(61)69-21)25-13-1-2-14(45-13)26(42(66)30(54)22(10-50)70-38(62)34(42)58)16-5-6-18(47-16)28(44(68)32(56)24(12-52)72-40(64)36(44)60)20-8-7-19(48-20)27(17-4-3-15(25)46-17)43(67)31(55)23(11-51)71-39(63)35(43)59/h1-8,21-24,29-40,45-46,49-68H,9-12H2/b25-13+,25-15+,26-14+,26-16+,27-17+,27-19+,28-18+,28-20+/t21-,22-,23-,24-,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42-,43+,44-/m1/s1
InChIKeyMNNVNSLIHPSPOE-QTWSMWFJSA-N
MW1022.92 g/mol
LogP-8.87
Rot. Bonds8

About (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 162705015) has the molecular formula C44H54N4O24 and a molecular weight of 1022.92 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID162705015
Molecular FormulaC44H54N4O24
Molecular Weight1022.92 g/mol
Exact Mass1022.31
IUPAC Name(2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@](O)(c2c3nc(c([C@]4(O)[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]4O)c4nc(c([C@]5(O)[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]5O)c5ccc([nH]5)c([C@]5(O)[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]5O)c5ccc2[nH]5)C=C4)C=C3)[C@H]1O
InChIInChI=1S/C44H54N4O24/c49-9-21-29(53)41(65,33(57)37(61)69-21)25-13-1-2-14(45-13)26(42(66)30(54)22(10-50)70-38(62)34(42)58)16-5-6-18(47-16)28(44(68)32(56)24(12-52)72-40(64)36(44)60)20-8-7-19(48-20)27(17-4-3-15(25)46-17)43(67)31(55)23(11-51)71-39(63)35(43)59/h1-8,21-24,29-40,45-46,49-68H,9-12H2/b25-13+,25-15+,26-14+,26-16+,27-17+,27-19+,28-18+,28-20+/t21-,22-,23-,24-,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42-,43+,44-/m1/s1
InChIKeyMNNVNSLIHPSPOE-QTWSMWFJSA-N
XLogP-8.87
TPSA498.88 Ų
H-Bond Donors22
H-Bond Acceptors26
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001022.92
LogP ≤ 5-8.87
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1026

Analyze (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol
CID 125489858
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CID 134812037
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[4-[10,15,20-tris[4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 136722672
(2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 91313523
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[3-[10,15,20-tris[3-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 139606961
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 136674025
(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047
(2S,3R,4R,5R)-4-methoxy-5-[10,15,20-tris[(2R,3R,4R,5S)-4,5-dihydroxy-3-methoxyoxolan-2-yl]-21,24-dihydroporphyrin-5-yl]oxolane-2,3-diol
CID 101062988
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[10,15,20-tris[2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-21,24-dihydroporphyrin-5-yl]phenoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10011827
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2,3,5,6-tetrafluoro-4-[15-(2,3,4,5,6-pentafluorophenyl)-10-[2,3,5,6-tetrafluoro-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylphenyl]-23,24-dihydro-22H-corrin-5-yl]phenyl]sulfanyloxane-3,4,5-triol
CID 136716760
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[10,15,20-tris[3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 58013764
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol
CID 135510536

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 162705015) is (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@H]1O[C@@H](O)[C@H](O)[C@](O)(c2c3nc(c([C@]4(O)[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]4O)c4nc(c([C@]5(O)[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]5O)c5ccc([nH]5)c([C@]5(O)[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]5O)c5ccc2[nH]5)C=C4)C=C3)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is MNNVNSLIHPSPOE-QTWSMWFJSA-N. The full InChI is InChI=1S/C44H54N4O24/c49-9-21-29(53)41(65,33(57)37(61)69-21)25-13-1-2-14(45-13)26(42(66)30(54)22(10-50)70-38(62)34(42)58)16-5-6-18(47-16)28(44(68)32(56)24(12-52)72-40(64)36(44)60)20-8-7-19(48-20)27(17-4-3-15(25)46-17)43(67)31(55)23(11-51)71-39(63)35(43)59/h1-8,21-24,29-40,45-46,49-68H,9-12H2/b25-13+,25-15+,26-14+,26-16+,27-17+,27-19+,28-18+,28-20+/t21-,22-,23-,24-,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42-,43+,44-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 1022.92 g/mol, XLogP of -8.87, 8 rotatable bonds, 22 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 162705015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).