N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C19H32N6O9 — CID 102389299

IUPACN-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)[C@H](N)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N6O9/c1-6-4-25(19(32)24-17(6)31)5-10(26)23-3-9-13(28)14(29)11(22)18(33-9)34-16-8(21)2-7(20)12(27)15(16)30/h4,7-9,11-16,18,27-30H,2-3,5,20-22H2,1H3,(H,23,26)(H,24,31,32)/t7-,8+,9-,11-,12+,13-,14-,15-,16-,18-/m1/s1
InChIKeyGTPUVEGVMVPBFM-MWAXJPSMSA-N
MW488.50 g/mol
LogP-6.10
Rot. Bonds6

About N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 102389299) has the molecular formula C19H32N6O9 and a molecular weight of 488.50 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID102389299
Molecular FormulaC19H32N6O9
Molecular Weight488.50 g/mol
Exact Mass488.22
IUPAC NameN-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)[C@H](N)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N6O9/c1-6-4-25(19(32)24-17(6)31)5-10(26)23-3-9-13(28)14(29)11(22)18(33-9)34-16-8(21)2-7(20)12(27)15(16)30/h4,7-9,11-16,18,27-30H,2-3,5,20-22H2,1H3,(H,23,26)(H,24,31,32)/t7-,8+,9-,11-,12+,13-,14-,15-,16-,18-/m1/s1
InChIKeyGTPUVEGVMVPBFM-MWAXJPSMSA-N
XLogP-6.10
TPSA261.40 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500488.50
LogP ≤ 5-6.10
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Analyze N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 102389299) is N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)NC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)[C@H](N)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is GTPUVEGVMVPBFM-MWAXJPSMSA-N. The full InChI is InChI=1S/C19H32N6O9/c1-6-4-25(19(32)24-17(6)31)5-10(26)23-3-9-13(28)14(29)11(22)18(33-9)34-16-8(21)2-7(20)12(27)15(16)30/h4,7-9,11-16,18,27-30H,2-3,5,20-22H2,1H3,(H,23,26)(H,24,31,32)/t7-,8+,9-,11-,12+,13-,14-,15-,16-,18-/m1/s1.
What are the key properties of N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 488.50 g/mol, XLogP of -6.10, 6 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 102389299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).